N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide

C23H30N2O2 — CID 35126659

IUPACN-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide
SMILESCc1ccc([C@@H](CNC(=O)COc2ccccc2)N2CCCCCC2)cc1
InChIInChI=1S/C23H30N2O2/c1-19-11-13-20(14-12-19)22(25-15-7-2-3-8-16-25)17-24-23(26)18-27-21-9-5-4-6-10-21/h4-6,9-14,22H,2-3,7-8,15-18H2,1H3,(H,24,26)/t22-/m1/s1
InChIKeyAOXPIRXPUNQORD-JOCHJYFZSA-N
MW366.51 g/mol
LogP4.11
Rot. Bonds7

About N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide

N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide (PubChem CID 35126659) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide
PubChem CID35126659
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide
SMILESCc1ccc([C@@H](CNC(=O)COc2ccccc2)N2CCCCCC2)cc1
InChIInChI=1S/C23H30N2O2/c1-19-11-13-20(14-12-19)22(25-15-7-2-3-8-16-25)17-24-23(26)18-27-21-9-5-4-6-10-21/h4-6,9-14,22H,2-3,7-8,15-18H2,1H3,(H,24,26)/t22-/m1/s1
InChIKeyAOXPIRXPUNQORD-JOCHJYFZSA-N
XLogP4.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenoxyacetamide
CID 17012003
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide
CID 35181296
2-(4-methoxyphenoxy)-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide
CID 17013722
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(4-bromophenoxy)acetamide
CID 34955007
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide
CID 27771479
2-(3-methylphenoxy)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride
CID 52985221
2-(3-chlorophenoxy)-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide
CID 17011545
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 34954966
N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-2-(4-methylphenoxy)acetamide
CID 43956116
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(2,6-dimethylphenoxy)acetamide
CID 35129885
2-(2,6-dimethylphenoxy)-N-[(2S)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide
CID 35043931
2-(3,4-dimethylphenoxy)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 43843061

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide (CID 35126659) is N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide is Cc1ccc([C@@H](CNC(=O)COc2ccccc2)N2CCCCCC2)cc1.
What is the InChIKey of N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide?
The InChIKey is AOXPIRXPUNQORD-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-19-11-13-20(14-12-19)22(25-15-7-2-3-8-16-25)17-24-23(26)18-27-21-9-5-4-6-10-21/h4-6,9-14,22H,2-3,7-8,15-18H2,1H3,(H,24,26)/t22-/m1/s1.
What are the key properties of N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide?
N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide has a molecular weight of 366.51 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 35126659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).