1-[2-(4-phenylphenyl)acetyl]-1,4-diazepan-5-one

C19H20N2O2 — CID 71943621

IUPAC1-[2-(4-phenylphenyl)acetyl]-1,4-diazepan-5-one
SMILESO=C1CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CCN1
InChIInChI=1S/C19H20N2O2/c22-18-10-12-21(13-11-20-18)19(23)14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-9H,10-14H2,(H,20,22)
InChIKeyXZFDCLUAPRTGEO-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.24
Rot. Bonds3

About 1-[2-(4-phenylphenyl)acetyl]-1,4-diazepan-5-one

1-[2-(4-phenylphenyl)acetyl]-1,4-diazepan-5-one (PubChem CID 71943621) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-[2-(4-phenylphenyl)acetyl]-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-[2-(4-phenylphenyl)acetyl]-1,4-diazepan-5-one
PubChem CID71943621
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name1-[2-(4-phenylphenyl)acetyl]-1,4-diazepan-5-one
SMILESO=C1CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CCN1
InChIInChI=1S/C19H20N2O2/c22-18-10-12-21(13-11-20-18)19(23)14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-9H,10-14H2,(H,20,22)
InChIKeyXZFDCLUAPRTGEO-UHFFFAOYSA-N
XLogP2.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-benzylsulfanylacetyl)-1,4-diazepan-5-one
CID 55154739
1-(2-anilinoacetyl)-1,4-diazepan-5-one
CID 63004979
1-[3-(benzenesulfonyl)propanoyl]-1,4-diazepan-5-one
CID 62045405
2-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]isoindole-1,3-dione
CID 110727933
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-phenylphenyl)ethanone
CID 43009927
2-phenyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]ethanone
CID 24720516
1-(4-methyl-1,4-diazepan-1-yl)-2-(4-phenylphenyl)ethanone
CID 17167239
1-[2-(2-fluorophenyl)sulfanylacetyl]-1,4-diazepan-5-one
CID 62045555
1-[(2S)-2-amino-3-phenylpropanoyl]-1,4-diazepan-5-one
CID 78919913
5-(4-phenylbutanoyl)-1,5-diazacycloundecan-2-one
CID 110201364
1-[3-(2-chlorophenyl)-3-phenylpropanoyl]-1,4-diazepan-5-one
CID 45228203
1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]-2-(4-phenylphenyl)ethanone
CID 9207576

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-phenylphenyl)acetyl]-1,4-diazepan-5-one?
The IUPAC name of 1-[2-(4-phenylphenyl)acetyl]-1,4-diazepan-5-one (CID 71943621) is 1-[2-(4-phenylphenyl)acetyl]-1,4-diazepan-5-one.
What is the SMILES notation for 1-[2-(4-phenylphenyl)acetyl]-1,4-diazepan-5-one?
The canonical SMILES for 1-[2-(4-phenylphenyl)acetyl]-1,4-diazepan-5-one is O=C1CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CCN1.
What is the InChIKey of 1-[2-(4-phenylphenyl)acetyl]-1,4-diazepan-5-one?
The InChIKey is XZFDCLUAPRTGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c22-18-10-12-21(13-11-20-18)19(23)14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-9H,10-14H2,(H,20,22).
What are the key properties of 1-[2-(4-phenylphenyl)acetyl]-1,4-diazepan-5-one?
1-[2-(4-phenylphenyl)acetyl]-1,4-diazepan-5-one has a molecular weight of 308.38 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-phenylphenyl)acetyl]-1,4-diazepan-5-one is sourced from PubChem (CID 71943621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).