4-(azepan-1-ylmethyl)-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]benzamide

C24H32N2O2 — CID 94013585

IUPAC4-(azepan-1-ylmethyl)-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]benzamide
SMILESCc1ccc(OC[C@H](C)NC(=O)c2ccc(CN3CCCCCC3)cc2)cc1
InChIInChI=1S/C24H32N2O2/c1-19-7-13-23(14-8-19)28-18-20(2)25-24(27)22-11-9-21(10-12-22)17-26-15-5-3-4-6-16-26/h7-14,20H,3-6,15-18H2,1-2H3,(H,25,27)/t20-/m0/s1
InChIKeyHKPRYKSSUQBNGC-FQEVSTJZSA-N
MW380.53 g/mol
LogP4.57
Rot. Bonds7

About 4-(azepan-1-ylmethyl)-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]benzamide

4-(azepan-1-ylmethyl)-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]benzamide (PubChem CID 94013585) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 4-(azepan-1-ylmethyl)-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]benzamide.

Molecular Properties

Compound Name4-(azepan-1-ylmethyl)-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]benzamide
PubChem CID94013585
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name4-(azepan-1-ylmethyl)-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]benzamide
SMILESCc1ccc(OC[C@H](C)NC(=O)c2ccc(CN3CCCCCC3)cc2)cc1
InChIInChI=1S/C24H32N2O2/c1-19-7-13-23(14-8-19)28-18-20(2)25-24(27)22-11-9-21(10-12-22)17-26-15-5-3-4-6-16-26/h7-14,20H,3-6,15-18H2,1-2H3,(H,25,27)/t20-/m0/s1
InChIKeyHKPRYKSSUQBNGC-FQEVSTJZSA-N
XLogP4.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(azepan-1-ylmethyl)-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]benzamide 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

N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 30400078
N-(3-methylbutan-2-yl)-4-(piperidin-1-ylmethyl)benzamide
CID 133249904
4-methoxy-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]benzamide
CID 95179251
1-[(4-chlorophenyl)methyl]-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 94013561
4-(azepan-1-ylmethyl)-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
CID 94024816
N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide
CID 99969635
N-[(2S)-4-phenylbutan-2-yl]-4-(piperidin-1-ylmethyl)benzamide
CID 41453775
N-[1-(4-methoxyphenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 53281706
N-[1-(4-methylphenoxy)propan-2-yl]-4-nitrobenzamide
CID 132650572
N-[1-(5-methyl-2-pyridinyl)propyl]-4-(piperidin-1-ylmethyl)benzamide
CID 131939571
2-(4-methylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 38743222
N-[1-(2-methylphenoxy)propan-2-yl]-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 46765429

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-ylmethyl)-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]benzamide?
The IUPAC name of 4-(azepan-1-ylmethyl)-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]benzamide (CID 94013585) is 4-(azepan-1-ylmethyl)-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]benzamide.
What is the SMILES notation for 4-(azepan-1-ylmethyl)-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]benzamide?
The canonical SMILES for 4-(azepan-1-ylmethyl)-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]benzamide is Cc1ccc(OC[C@H](C)NC(=O)c2ccc(CN3CCCCCC3)cc2)cc1.
What is the InChIKey of 4-(azepan-1-ylmethyl)-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]benzamide?
The InChIKey is HKPRYKSSUQBNGC-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-19-7-13-23(14-8-19)28-18-20(2)25-24(27)22-11-9-21(10-12-22)17-26-15-5-3-4-6-16-26/h7-14,20H,3-6,15-18H2,1-2H3,(H,25,27)/t20-/m0/s1.
What are the key properties of 4-(azepan-1-ylmethyl)-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]benzamide?
4-(azepan-1-ylmethyl)-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]benzamide has a molecular weight of 380.53 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-ylmethyl)-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]benzamide is sourced from PubChem (CID 94013585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).