N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide

C24H32N2O3 — CID 34954966

IUPACN-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCCCC1
InChIInChI=1S/C24H32N2O3/c1-19-11-13-20(14-12-19)21(26-15-7-3-4-8-16-26)17-25-24(27)18-29-23-10-6-5-9-22(23)28-2/h5-6,9-14,21H,3-4,7-8,15-18H2,1-2H3,(H,25,27)/t21-/m0/s1
InChIKeyALTYNEBCACOOQL-NRFANRHFSA-N
MW396.53 g/mol
LogP4.12
Rot. Bonds8

About N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide

N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 34954966) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
PubChem CID34954966
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC NameN-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCCCC1
InChIInChI=1S/C24H32N2O3/c1-19-11-13-20(14-12-19)21(26-15-7-3-4-8-16-26)17-25-24(27)18-29-23-10-6-5-9-22(23)28-2/h5-6,9-14,21H,3-4,7-8,15-18H2,1-2H3,(H,25,27)/t21-/m0/s1
InChIKeyALTYNEBCACOOQL-NRFANRHFSA-N
XLogP4.12
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenoxy)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 112504392
2-(2-methoxyphenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 18111373
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-2-(2-methoxyphenoxy)acetamide
CID 7496561
N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(2,3-dimethylphenoxy)acetamide
CID 17014091
N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide
CID 35126659
N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenoxyacetamide
CID 17012003
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-(2,6-dimethylphenoxy)acetamide
CID 35129885
2-(2,6-dimethylphenoxy)-N-[(2S)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide
CID 35043931
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide
CID 35181296
2-(2-ethoxyphenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 86976076
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-methylphenoxy)acetamide
CID 18111378

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide (CID 34954966) is N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCCCC1.
What is the InChIKey of N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is ALTYNEBCACOOQL-NRFANRHFSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-19-11-13-20(14-12-19)21(26-15-7-3-4-8-16-26)17-25-24(27)18-29-23-10-6-5-9-22(23)28-2/h5-6,9-14,21H,3-4,7-8,15-18H2,1-2H3,(H,25,27)/t21-/m0/s1.
What are the key properties of N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide?
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 396.53 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 34954966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).