(4S)-N-(4-ethoxyphenyl)-1-ethyl-4-phenylazepane-4-carboxamide

C23H30N2O2 — CID 95100675

IUPAC(4S)-N-(4-ethoxyphenyl)-1-ethyl-4-phenylazepane-4-carboxamide
SMILESCCOc1ccc(NC(=O)[C@@]2(c3ccccc3)CCCN(CC)CC2)cc1
InChIInChI=1S/C23H30N2O2/c1-3-25-17-8-15-23(16-18-25,19-9-6-5-7-10-19)22(26)24-20-11-13-21(14-12-20)27-4-2/h5-7,9-14H,3-4,8,15-18H2,1-2H3,(H,24,26)/t23-/m0/s1
InChIKeyRZGKQCQEHNPBLN-QHCPKHFHSA-N
MW366.51 g/mol
LogP4.47
Rot. Bonds6

About (4S)-N-(4-ethoxyphenyl)-1-ethyl-4-phenylazepane-4-carboxamide

(4S)-N-(4-ethoxyphenyl)-1-ethyl-4-phenylazepane-4-carboxamide (PubChem CID 95100675) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is (4S)-N-(4-ethoxyphenyl)-1-ethyl-4-phenylazepane-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(4-ethoxyphenyl)-1-ethyl-4-phenylazepane-4-carboxamide
PubChem CID95100675
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name(4S)-N-(4-ethoxyphenyl)-1-ethyl-4-phenylazepane-4-carboxamide
SMILESCCOc1ccc(NC(=O)[C@@]2(c3ccccc3)CCCN(CC)CC2)cc1
InChIInChI=1S/C23H30N2O2/c1-3-25-17-8-15-23(16-18-25,19-9-6-5-7-10-19)22(26)24-20-11-13-21(14-12-20)27-4-2/h5-7,9-14H,3-4,8,15-18H2,1-2H3,(H,24,26)/t23-/m0/s1
InChIKeyRZGKQCQEHNPBLN-QHCPKHFHSA-N
XLogP4.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-N-(4-ethoxyphenyl)-1-ethyl-4-phenylazepane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-N-(4-methylsulfanylphenyl)-4-phenylazepane-4-carboxamide
CID 53165493
N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-1-phenylcyclohexane-1-carboxamide
CID 100669515
N-[4-[3-(azepan-1-yl)propoxy]phenyl]-1-phenylcyclopentane-1-carboxamide
CID 100658483
N-(4-ethoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 94829289
N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]-1-phenylcyclohexane-1-carboxamide
CID 100669431
N-[4-[3-(diethylamino)propoxy]phenyl]-1-phenylcyclopentane-1-carboxamide
CID 100658332
N-[4-[3-(dimethylamino)propoxy]phenyl]-1-phenylcyclopentane-1-carboxamide
CID 100658314
N-[(4-ethoxyphenyl)carbamoyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide
CID 3053611
4-phenyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]oxane-4-carboxamide
CID 100679278
(4-ethoxyphenyl)-(1-phenylcyclobutyl)methanone
CID 63410078
1-(benzenesulfonyl)-N-(4-ethoxyphenyl)cyclopentane-1-carboxamide
CID 17390768
N-(4-cyanophenyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78816005

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(4-ethoxyphenyl)-1-ethyl-4-phenylazepane-4-carboxamide?
The IUPAC name of (4S)-N-(4-ethoxyphenyl)-1-ethyl-4-phenylazepane-4-carboxamide (CID 95100675) is (4S)-N-(4-ethoxyphenyl)-1-ethyl-4-phenylazepane-4-carboxamide.
What is the SMILES notation for (4S)-N-(4-ethoxyphenyl)-1-ethyl-4-phenylazepane-4-carboxamide?
The canonical SMILES for (4S)-N-(4-ethoxyphenyl)-1-ethyl-4-phenylazepane-4-carboxamide is CCOc1ccc(NC(=O)[C@@]2(c3ccccc3)CCCN(CC)CC2)cc1.
What is the InChIKey of (4S)-N-(4-ethoxyphenyl)-1-ethyl-4-phenylazepane-4-carboxamide?
The InChIKey is RZGKQCQEHNPBLN-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-3-25-17-8-15-23(16-18-25,19-9-6-5-7-10-19)22(26)24-20-11-13-21(14-12-20)27-4-2/h5-7,9-14H,3-4,8,15-18H2,1-2H3,(H,24,26)/t23-/m0/s1.
What are the key properties of (4S)-N-(4-ethoxyphenyl)-1-ethyl-4-phenylazepane-4-carboxamide?
(4S)-N-(4-ethoxyphenyl)-1-ethyl-4-phenylazepane-4-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(4-ethoxyphenyl)-1-ethyl-4-phenylazepane-4-carboxamide is sourced from PubChem (CID 95100675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).