(6R)-6-[(3-phenylphenyl)methyl]-1-propanoyl-4-prop-2-enyl-1,4-diazepan-5-one

C24H28N2O2 — CID 92585340

IUPAC(6R)-6-[(3-phenylphenyl)methyl]-1-propanoyl-4-prop-2-enyl-1,4-diazepan-5-one
SMILESC=CCN1CCN(C(=O)CC)C[C@@H](Cc2cccc(-c3ccccc3)c2)C1=O
InChIInChI=1S/C24H28N2O2/c1-3-13-25-14-15-26(23(27)4-2)18-22(24(25)28)17-19-9-8-12-21(16-19)20-10-6-5-7-11-20/h3,5-12,16,22H,1,4,13-15,17-18H2,2H3/t22-/m1/s1
InChIKeyRVCUMBWDNWYADP-JOCHJYFZSA-N
MW376.50 g/mol
LogP3.78
Rot. Bonds6

About (6R)-6-[(3-phenylphenyl)methyl]-1-propanoyl-4-prop-2-enyl-1,4-diazepan-5-one

(6R)-6-[(3-phenylphenyl)methyl]-1-propanoyl-4-prop-2-enyl-1,4-diazepan-5-one (PubChem CID 92585340) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is (6R)-6-[(3-phenylphenyl)methyl]-1-propanoyl-4-prop-2-enyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name(6R)-6-[(3-phenylphenyl)methyl]-1-propanoyl-4-prop-2-enyl-1,4-diazepan-5-one
PubChem CID92585340
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name(6R)-6-[(3-phenylphenyl)methyl]-1-propanoyl-4-prop-2-enyl-1,4-diazepan-5-one
SMILESC=CCN1CCN(C(=O)CC)C[C@@H](Cc2cccc(-c3ccccc3)c2)C1=O
InChIInChI=1S/C24H28N2O2/c1-3-13-25-14-15-26(23(27)4-2)18-22(24(25)28)17-19-9-8-12-21(16-19)20-10-6-5-7-11-20/h3,5-12,16,22H,1,4,13-15,17-18H2,2H3/t22-/m1/s1
InChIKeyRVCUMBWDNWYADP-JOCHJYFZSA-N
XLogP3.78
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-[(3-phenylphenyl)methyl]-1-propanoyl-4-prop-2-enyl-1,4-diazepan-5-one?
The IUPAC name of (6R)-6-[(3-phenylphenyl)methyl]-1-propanoyl-4-prop-2-enyl-1,4-diazepan-5-one (CID 92585340) is (6R)-6-[(3-phenylphenyl)methyl]-1-propanoyl-4-prop-2-enyl-1,4-diazepan-5-one.
What is the SMILES notation for (6R)-6-[(3-phenylphenyl)methyl]-1-propanoyl-4-prop-2-enyl-1,4-diazepan-5-one?
The canonical SMILES for (6R)-6-[(3-phenylphenyl)methyl]-1-propanoyl-4-prop-2-enyl-1,4-diazepan-5-one is C=CCN1CCN(C(=O)CC)C[C@@H](Cc2cccc(-c3ccccc3)c2)C1=O.
What is the InChIKey of (6R)-6-[(3-phenylphenyl)methyl]-1-propanoyl-4-prop-2-enyl-1,4-diazepan-5-one?
The InChIKey is RVCUMBWDNWYADP-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-3-13-25-14-15-26(23(27)4-2)18-22(24(25)28)17-19-9-8-12-21(16-19)20-10-6-5-7-11-20/h3,5-12,16,22H,1,4,13-15,17-18H2,2H3/t22-/m1/s1.
What are the key properties of (6R)-6-[(3-phenylphenyl)methyl]-1-propanoyl-4-prop-2-enyl-1,4-diazepan-5-one?
(6R)-6-[(3-phenylphenyl)methyl]-1-propanoyl-4-prop-2-enyl-1,4-diazepan-5-one has a molecular weight of 376.50 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[(3-phenylphenyl)methyl]-1-propanoyl-4-prop-2-enyl-1,4-diazepan-5-one is sourced from PubChem (CID 92585340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).