2-(azepan-1-yl)-N-[4-[(2,4-dimethylphenyl)methylamino]phenyl]acetamide

C23H31N3O — CID 112839494

IUPAC2-(azepan-1-yl)-N-[4-[(2,4-dimethylphenyl)methylamino]phenyl]acetamide
SMILESCc1ccc(CNc2ccc(NC(=O)CN3CCCCCC3)cc2)c(C)c1
InChIInChI=1S/C23H31N3O/c1-18-7-8-20(19(2)15-18)16-24-21-9-11-22(12-10-21)25-23(27)17-26-13-5-3-4-6-14-26/h7-12,15,24H,3-6,13-14,16-17H2,1-2H3,(H,25,27)
InChIKeyQLGMGAYQMDIWNR-UHFFFAOYSA-N
MW365.52 g/mol
LogP4.73
Rot. Bonds6

About 2-(azepan-1-yl)-N-[4-[(2,4-dimethylphenyl)methylamino]phenyl]acetamide

2-(azepan-1-yl)-N-[4-[(2,4-dimethylphenyl)methylamino]phenyl]acetamide (PubChem CID 112839494) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[4-[(2,4-dimethylphenyl)methylamino]phenyl]acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[4-[(2,4-dimethylphenyl)methylamino]phenyl]acetamide
PubChem CID112839494
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name2-(azepan-1-yl)-N-[4-[(2,4-dimethylphenyl)methylamino]phenyl]acetamide
SMILESCc1ccc(CNc2ccc(NC(=O)CN3CCCCCC3)cc2)c(C)c1
InChIInChI=1S/C23H31N3O/c1-18-7-8-20(19(2)15-18)16-24-21-9-11-22(12-10-21)25-23(27)17-26-13-5-3-4-6-14-26/h7-12,15,24H,3-6,13-14,16-17H2,1-2H3,(H,25,27)
InChIKeyQLGMGAYQMDIWNR-UHFFFAOYSA-N
XLogP4.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylphenyl)-N-(4-methylphenyl)acetamide
CID 7596977
2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8895959
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814408
2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)acetamide
CID 8895979
N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-2-(methylamino)acetamide;hydrochloride
CID 120704274
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 54814594
N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901854
2,2-dimethyl-N-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]propanamide
CID 858395
2-amino-N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-(4-methylphenyl)acetamide
CID 120669658
N-(4-bromo-3-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901793
3-methyl-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide
CID 54815187

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[4-[(2,4-dimethylphenyl)methylamino]phenyl]acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-[4-[(2,4-dimethylphenyl)methylamino]phenyl]acetamide (CID 112839494) is 2-(azepan-1-yl)-N-[4-[(2,4-dimethylphenyl)methylamino]phenyl]acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[4-[(2,4-dimethylphenyl)methylamino]phenyl]acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[4-[(2,4-dimethylphenyl)methylamino]phenyl]acetamide is Cc1ccc(CNc2ccc(NC(=O)CN3CCCCCC3)cc2)c(C)c1.
What is the InChIKey of 2-(azepan-1-yl)-N-[4-[(2,4-dimethylphenyl)methylamino]phenyl]acetamide?
The InChIKey is QLGMGAYQMDIWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-18-7-8-20(19(2)15-18)16-24-21-9-11-22(12-10-21)25-23(27)17-26-13-5-3-4-6-14-26/h7-12,15,24H,3-6,13-14,16-17H2,1-2H3,(H,25,27).
What are the key properties of 2-(azepan-1-yl)-N-[4-[(2,4-dimethylphenyl)methylamino]phenyl]acetamide?
2-(azepan-1-yl)-N-[4-[(2,4-dimethylphenyl)methylamino]phenyl]acetamide has a molecular weight of 365.52 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-[4-[(2,4-dimethylphenyl)methylamino]phenyl]acetamide is sourced from PubChem (CID 112839494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).