(2S)-2-(5-oxo-1,4-diazepan-1-yl)-N,2-diphenylacetamide

C19H21N3O2 — CID 94537942

IUPAC(2S)-2-(5-oxo-1,4-diazepan-1-yl)-N,2-diphenylacetamide
SMILESO=C1CCN([C@H](C(=O)Nc2ccccc2)c2ccccc2)CCN1
InChIInChI=1S/C19H21N3O2/c23-17-11-13-22(14-12-20-17)18(15-7-3-1-4-8-15)19(24)21-16-9-5-2-6-10-16/h1-10,18H,11-14H2,(H,20,23)(H,21,24)/t18-/m0/s1
InChIKeyIUHSADLJDCVKDO-SFHVURJKSA-N
MW323.40 g/mol
LogP2.19
Rot. Bonds4

About (2S)-2-(5-oxo-1,4-diazepan-1-yl)-N,2-diphenylacetamide

(2S)-2-(5-oxo-1,4-diazepan-1-yl)-N,2-diphenylacetamide (PubChem CID 94537942) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is (2S)-2-(5-oxo-1,4-diazepan-1-yl)-N,2-diphenylacetamide.

Molecular Properties

Compound Name(2S)-2-(5-oxo-1,4-diazepan-1-yl)-N,2-diphenylacetamide
PubChem CID94537942
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name(2S)-2-(5-oxo-1,4-diazepan-1-yl)-N,2-diphenylacetamide
SMILESO=C1CCN([C@H](C(=O)Nc2ccccc2)c2ccccc2)CCN1
InChIInChI=1S/C19H21N3O2/c23-17-11-13-22(14-12-20-17)18(15-7-3-1-4-8-15)19(24)21-16-9-5-2-6-10-16/h1-10,18H,11-14H2,(H,20,23)(H,21,24)/t18-/m0/s1
InChIKeyIUHSADLJDCVKDO-SFHVURJKSA-N
XLogP2.19
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(4-methylphenyl)-2-(3-oxopiperazin-1-yl)-2-phenylacetamide
CID 2657072
(2S)-N-(3-chloro-4-methylphenyl)-2-(3-oxopiperazin-1-yl)-2-phenylacetamide
CID 2657012
1-(2-anilino-2-oxo-1-phenylethyl)piperidine-4-carboxylic acid;hydrochloride
CID 119907322
N-(3-chloro-4-methoxyphenyl)-2-(3-oxopiperazin-1-yl)-2-phenylacetamide
CID 42912246
N-(4-anilinophenyl)-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 60587255
2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N,2-diphenylacetamide
CID 46667188
(2S)-2-phenyl-2-piperazin-1-ylacetic acid
CID 93409057
(2R)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-N,2-diphenylacetamide
CID 95619276
N-(4-fluorophenyl)-2-phenyl-2-(4-pyridin-4-ylpiperazin-1-yl)acetamide
CID 53384111
1-(2-anilinoacetyl)-1,4-diazepan-5-one
CID 63004979
2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N,2-diphenylacetamide
CID 46662933
(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide
CID 32701204

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-oxo-1,4-diazepan-1-yl)-N,2-diphenylacetamide?
The IUPAC name of (2S)-2-(5-oxo-1,4-diazepan-1-yl)-N,2-diphenylacetamide (CID 94537942) is (2S)-2-(5-oxo-1,4-diazepan-1-yl)-N,2-diphenylacetamide.
What is the SMILES notation for (2S)-2-(5-oxo-1,4-diazepan-1-yl)-N,2-diphenylacetamide?
The canonical SMILES for (2S)-2-(5-oxo-1,4-diazepan-1-yl)-N,2-diphenylacetamide is O=C1CCN([C@H](C(=O)Nc2ccccc2)c2ccccc2)CCN1.
What is the InChIKey of (2S)-2-(5-oxo-1,4-diazepan-1-yl)-N,2-diphenylacetamide?
The InChIKey is IUHSADLJDCVKDO-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-17-11-13-22(14-12-20-17)18(15-7-3-1-4-8-15)19(24)21-16-9-5-2-6-10-16/h1-10,18H,11-14H2,(H,20,23)(H,21,24)/t18-/m0/s1.
What are the key properties of (2S)-2-(5-oxo-1,4-diazepan-1-yl)-N,2-diphenylacetamide?
(2S)-2-(5-oxo-1,4-diazepan-1-yl)-N,2-diphenylacetamide has a molecular weight of 323.40 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-oxo-1,4-diazepan-1-yl)-N,2-diphenylacetamide is sourced from PubChem (CID 94537942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).