4-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide

C22H27N3O2 — CID 54838444

IUPAC4-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1ccc(NCC(=O)N2CCCCCC2)cc1)c1ccccc1
InChIInChI=1S/C22H27N3O2/c1-24(20-9-5-4-6-10-20)22(27)18-11-13-19(14-12-18)23-17-21(26)25-15-7-2-3-8-16-25/h4-6,9-14,23H,2-3,7-8,15-17H2,1H3
InChIKeyQHIYHGQNJJDQEI-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.78
Rot. Bonds5

About 4-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide

4-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide (PubChem CID 54838444) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 4-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name4-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
PubChem CID54838444
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name4-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1ccc(NCC(=O)N2CCCCCC2)cc1)c1ccccc1
InChIInChI=1S/C22H27N3O2/c1-24(20-9-5-4-6-10-20)22(27)18-11-13-19(14-12-18)23-17-21(26)25-15-7-2-3-8-16-25/h4-6,9-14,23H,2-3,7-8,15-17H2,1H3
InChIKeyQHIYHGQNJJDQEI-UHFFFAOYSA-N
XLogP3.78
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54838199
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54838496
N-methyl-4-[[2-(N-methylanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 54838219
N-methyl-N-phenyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54843314
1-(azepan-1-yl)-2-[4-(piperidine-1-carbonyl)anilino]ethanone
CID 54841440
4-chloro-N-methyl-N-[4-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoylamino]phenyl]benzamide
CID 60577820
2-(4-ethylanilino)-1-piperidin-1-ylethanone
CID 28583235
4-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836236
2-[4-(azepane-1-carbonyl)anilino]-N-ethyl-N-phenylacetamide
CID 54835196
2-[4-(4-methylpiperidine-1-carbonyl)anilino]-1-piperidin-1-ylethanone
CID 54831366
N-methyl-4-[[2-[4-(2-methylpropanoylamino)anilino]acetyl]amino]-N-phenylbenzamide
CID 54833224
N-methyl-N-phenylpiperidine-1-carboxamide
CID 54133936

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide?
The IUPAC name of 4-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide (CID 54838444) is 4-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 4-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide?
The canonical SMILES for 4-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide is CN(C(=O)c1ccc(NCC(=O)N2CCCCCC2)cc1)c1ccccc1.
What is the InChIKey of 4-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide?
The InChIKey is QHIYHGQNJJDQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-24(20-9-5-4-6-10-20)22(27)18-11-13-19(14-12-18)23-17-21(26)25-15-7-2-3-8-16-25/h4-6,9-14,23H,2-3,7-8,15-17H2,1H3.
What are the key properties of 4-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide?
4-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide has a molecular weight of 365.48 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 54838444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).