4-[(4-methoxyphenyl)methyl]-1-(naphthalene-1-carbonyl)-1,4-diazepan-5-one

C24H24N2O3 — CID 26346067

IUPAC4-[(4-methoxyphenyl)methyl]-1-(naphthalene-1-carbonyl)-1,4-diazepan-5-one
SMILESCOc1ccc(CN2CCN(C(=O)c3cccc4ccccc34)CCC2=O)cc1
InChIInChI=1S/C24H24N2O3/c1-29-20-11-9-18(10-12-20)17-26-16-15-25(14-13-23(26)27)24(28)22-8-4-6-19-5-2-3-7-21(19)22/h2-12H,13-17H2,1H3
InChIKeyXFDZUWLZXXEMOG-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.72
Rot. Bonds4

About 4-[(4-methoxyphenyl)methyl]-1-(naphthalene-1-carbonyl)-1,4-diazepan-5-one

4-[(4-methoxyphenyl)methyl]-1-(naphthalene-1-carbonyl)-1,4-diazepan-5-one (PubChem CID 26346067) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methyl]-1-(naphthalene-1-carbonyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methyl]-1-(naphthalene-1-carbonyl)-1,4-diazepan-5-one
PubChem CID26346067
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name4-[(4-methoxyphenyl)methyl]-1-(naphthalene-1-carbonyl)-1,4-diazepan-5-one
SMILESCOc1ccc(CN2CCN(C(=O)c3cccc4ccccc34)CCC2=O)cc1
InChIInChI=1S/C24H24N2O3/c1-29-20-11-9-18(10-12-20)17-26-16-15-25(14-13-23(26)27)24(28)22-8-4-6-19-5-2-3-7-21(19)22/h2-12H,13-17H2,1H3
InChIKeyXFDZUWLZXXEMOG-UHFFFAOYSA-N
XLogP3.72
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-indole-2-carbonyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one
CID 42467254
4-[(4-methoxyphenyl)methyl]-1-[2-(2-methylphenyl)acetyl]-1,4-diazepan-5-one
CID 26351285
methyl 4-[[4-(2-acetylbenzoyl)-7-oxo-1,4-diazepan-1-yl]methyl]benzoate
CID 118757948
1-[(2S)-2-cyclopentyl-2-phenylacetyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one
CID 26336843
1-[2-(dimethylamino)benzoyl]-4-[(4-fluorophenyl)methyl]-1,4-diazepan-5-one
CID 42484729
[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]-naphthalen-1-ylmethanone
CID 4200906
1-benzyl-4-(4-methoxybenzoyl)piperazin-2-one
CID 145164386
1-(3-cyclopentylpropanoyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one
CID 26360727
4-[(4-methoxyphenyl)methyl]-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-1,4-diazepan-5-one
CID 42472943
methyl 3-[[4-(2-methylsulfanylbenzoyl)-7-oxo-1,4-diazepan-1-yl]methyl]benzoate
CID 26351026
1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone
CID 108535864
3-methoxy-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]propan-1-one
CID 108536410

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methyl]-1-(naphthalene-1-carbonyl)-1,4-diazepan-5-one?
The IUPAC name of 4-[(4-methoxyphenyl)methyl]-1-(naphthalene-1-carbonyl)-1,4-diazepan-5-one (CID 26346067) is 4-[(4-methoxyphenyl)methyl]-1-(naphthalene-1-carbonyl)-1,4-diazepan-5-one.
What is the SMILES notation for 4-[(4-methoxyphenyl)methyl]-1-(naphthalene-1-carbonyl)-1,4-diazepan-5-one?
The canonical SMILES for 4-[(4-methoxyphenyl)methyl]-1-(naphthalene-1-carbonyl)-1,4-diazepan-5-one is COc1ccc(CN2CCN(C(=O)c3cccc4ccccc34)CCC2=O)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methyl]-1-(naphthalene-1-carbonyl)-1,4-diazepan-5-one?
The InChIKey is XFDZUWLZXXEMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-29-20-11-9-18(10-12-20)17-26-16-15-25(14-13-23(26)27)24(28)22-8-4-6-19-5-2-3-7-21(19)22/h2-12H,13-17H2,1H3.
What are the key properties of 4-[(4-methoxyphenyl)methyl]-1-(naphthalene-1-carbonyl)-1,4-diazepan-5-one?
4-[(4-methoxyphenyl)methyl]-1-(naphthalene-1-carbonyl)-1,4-diazepan-5-one has a molecular weight of 388.47 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methyl]-1-(naphthalene-1-carbonyl)-1,4-diazepan-5-one is sourced from PubChem (CID 26346067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).