2-[(5-tert-butyl-2-methylfuran-3-yl)formamido]-3-phenylpropanoic acid

2-[(5-tert-butyl-2-methylfuran-3-yl)formamido]-3-phenylpropanoic acid

CAS: 1397005-04-7

Formula: C19H23NO4

SMILES: CC1=C(C=C(O1)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(O)=O

IUPAC: 2-[(5-tert-butyl-2-methylfuran-3-yl)formamido]-3-phenylpropanoic acid

InChI: InChI=1/C19H23NO4/c1-12-14(11-16(24-12)19(2,3)4)17(21)20-15(18(22)23)10-13-8-6-5-7-9-13/h5-9,11,15H,10H2,1-4H3,(H,20,21)(H,22,23)

Composition: C (69.28%), H (7.04%), N (4.25%), O (19.43%)

Molar Mass: 329.396

Atom Count: 47

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	329.162708225
Formal Charge	0
FSP3	0.37
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	MCSWOHOPDTWQCL-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	91.44
Topological Polar Surface Area	79.54
Polarizability	34.73
Ring Count	2
Rotatable Bond Count	6

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