ethyl 4-amino-5-acetamido-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate

ethyl 4-amino-5-acetamido-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate

CAS: 956267-10-0

Formula: C16H28N2O4

SMILES: CCOC(=O)C1=CC(OC(CC)CC)C(N)C(C1)NC(C)=O

IUPAC: ethyl 4-amino-5-acetamido-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate

InChI: InChI=1/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(15(14)17)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)

Composition: C (61.51%), H (9.03%), N (8.97%), O (20.48%)

Molar Mass: 312.41

Atom Count: 50

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	3
Exact Mass	312.20490739
Formal Charge	0
FSP3	0.75
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	SEYYJZMDDOOQNB-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	84.2
Topological Polar Surface Area	90.65
Polarizability	33.44
Ring Count	1
Rotatable Bond Count	8

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