4-(dimethylamino)-N-[1-[(2-methylphenyl)methyl]-2-oxoazepan-3-yl]benzamide

C23H29N3O2 — CID 56835635

IUPAC4-(dimethylamino)-N-[1-[(2-methylphenyl)methyl]-2-oxoazepan-3-yl]benzamide
SMILESCc1ccccc1CN1CCCCC(NC(=O)c2ccc(N(C)C)cc2)C1=O
InChIInChI=1S/C23H29N3O2/c1-17-8-4-5-9-19(17)16-26-15-7-6-10-21(23(26)28)24-22(27)18-11-13-20(14-12-18)25(2)3/h4-5,8-9,11-14,21H,6-7,10,15-16H2,1-3H3,(H,24,27)
InChIKeyWGDSCCPFSDDKIU-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.37
Rot. Bonds5

About 4-(dimethylamino)-N-[1-[(2-methylphenyl)methyl]-2-oxoazepan-3-yl]benzamide

4-(dimethylamino)-N-[1-[(2-methylphenyl)methyl]-2-oxoazepan-3-yl]benzamide (PubChem CID 56835635) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[1-[(2-methylphenyl)methyl]-2-oxoazepan-3-yl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[1-[(2-methylphenyl)methyl]-2-oxoazepan-3-yl]benzamide
PubChem CID56835635
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name4-(dimethylamino)-N-[1-[(2-methylphenyl)methyl]-2-oxoazepan-3-yl]benzamide
SMILESCc1ccccc1CN1CCCCC(NC(=O)c2ccc(N(C)C)cc2)C1=O
InChIInChI=1S/C23H29N3O2/c1-17-8-4-5-9-19(17)16-26-15-7-6-10-21(23(26)28)24-22(27)18-11-13-20(14-12-18)25(2)3/h4-5,8-9,11-14,21H,6-7,10,15-16H2,1-3H3,(H,24,27)
InChIKeyWGDSCCPFSDDKIU-UHFFFAOYSA-N
XLogP3.37
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2-methylphenyl)methyl]-2-oxoazepan-3-yl]-2-thiophen-2-ylacetamide
CID 56835627
4-(dimethylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 71839219
2-methyl-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]benzamide
CID 59873509
4-butoxy-N-[1-[(4-methylphenyl)methyl]-2-oxoazepan-3-yl]benzamide
CID 56835672
N-(2-oxo-1-pentylazepan-3-yl)naphthalene-2-carboxamide
CID 56643327
4-(dimethylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 4681400
2-acetamido-N-[(3S)-1-benzyl-2-oxoazepan-3-yl]propanamide
CID 59872516
N-[1-[(4-chlorophenyl)methyl]-2-oxoazepan-3-yl]-3,4-difluorobenzamide
CID 53488317
1-[4-(dimethylamino)phenyl]-2-(2-methylphenyl)ethanone
CID 105079467
N-[2-(bromomethyl)cyclohexyl]-4-(dimethylamino)benzamide
CID 106367084
1-[2-(2-methylphenyl)ethyl]-3-(propan-2-ylamino)piperidin-2-one
CID 79754766
4-(dimethylamino)-N-[(2S)-2-hydroxycyclohexyl]benzamide
CID 134880490

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[1-[(2-methylphenyl)methyl]-2-oxoazepan-3-yl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[1-[(2-methylphenyl)methyl]-2-oxoazepan-3-yl]benzamide (CID 56835635) is 4-(dimethylamino)-N-[1-[(2-methylphenyl)methyl]-2-oxoazepan-3-yl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[1-[(2-methylphenyl)methyl]-2-oxoazepan-3-yl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[1-[(2-methylphenyl)methyl]-2-oxoazepan-3-yl]benzamide is Cc1ccccc1CN1CCCCC(NC(=O)c2ccc(N(C)C)cc2)C1=O.
What is the InChIKey of 4-(dimethylamino)-N-[1-[(2-methylphenyl)methyl]-2-oxoazepan-3-yl]benzamide?
The InChIKey is WGDSCCPFSDDKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-17-8-4-5-9-19(17)16-26-15-7-6-10-21(23(26)28)24-22(27)18-11-13-20(14-12-18)25(2)3/h4-5,8-9,11-14,21H,6-7,10,15-16H2,1-3H3,(H,24,27).
What are the key properties of 4-(dimethylamino)-N-[1-[(2-methylphenyl)methyl]-2-oxoazepan-3-yl]benzamide?
4-(dimethylamino)-N-[1-[(2-methylphenyl)methyl]-2-oxoazepan-3-yl]benzamide has a molecular weight of 379.50 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[1-[(2-methylphenyl)methyl]-2-oxoazepan-3-yl]benzamide is sourced from PubChem (CID 56835635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).