2-(diethylamino)(1,1,2,2-²H?)ethyl 3-(naphthalen-1-yl)-2-[(oxolan-2-yl)methyl]propanoate

2-(diethylamino)(1,1,2,2-²H?)ethyl 3-(naphthalen-1-yl)-2-[(oxolan-2-yl)methyl]propanoate

CAS: 1215649-28-7

Formula: C24H33NO3

SMILES: [2H]C([2H])(OC(=O)C(CC1CCCO1)CC1=CC=CC2=CC=CC=C12)C([2H])([2H])N(CC)CC

IUPAC: 2-(diethylamino)(1,1,2,2-²H?)ethyl 3-(naphthalen-1-yl)-2-[(oxolan-2-yl)methyl]propanoate

InChI: InChI=1/C24H33NO3/c1-3-25(4-2)14-16-28-24(26)21(18-22-12-8-15-27-22)17-20-11-7-10-19-9-5-6-13-23(19)20/h5-7,9-11,13,21-22H,3-4,8,12,14-18H2,1-2H3/i14D2,16D2

Composition: C (74.38%), H (7.54%), [2H] (2.08%), N (3.61%), O (12.38%)

Molar Mass: 387.556

Atom Count: 61

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	387.27115091
Formal Charge	0
FSP3	0.54
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	KBAFPSLPKGSANY-RCYYZLFTNA-N
Lipinski's Rule of Five	1
Molar Refractivity	113.77
Topological Polar Surface Area	38.77
Polarizability	45.91
Ring Count	3
Rotatable Bond Count	11

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