1-(4-methoxybenzoyl)-4-phenyl-1,4-diazepan-5-one

C19H20N2O3 — CID 110873914

IUPAC1-(4-methoxybenzoyl)-4-phenyl-1,4-diazepan-5-one
SMILESCOc1ccc(C(=O)N2CCC(=O)N(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H20N2O3/c1-24-17-9-7-15(8-10-17)19(23)20-12-11-18(22)21(14-13-20)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3
InChIKeyFXYCKEJYXZWZEI-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.57
Rot. Bonds3

About 1-(4-methoxybenzoyl)-4-phenyl-1,4-diazepan-5-one

1-(4-methoxybenzoyl)-4-phenyl-1,4-diazepan-5-one (PubChem CID 110873914) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-(4-methoxybenzoyl)-4-phenyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-(4-methoxybenzoyl)-4-phenyl-1,4-diazepan-5-one
PubChem CID110873914
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name1-(4-methoxybenzoyl)-4-phenyl-1,4-diazepan-5-one
SMILESCOc1ccc(C(=O)N2CCC(=O)N(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H20N2O3/c1-24-17-9-7-15(8-10-17)19(23)20-12-11-18(22)21(14-13-20)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3
InChIKeyFXYCKEJYXZWZEI-UHFFFAOYSA-N
XLogP2.57
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
1-(3-fluorobenzoyl)-4-phenyl-1,4-diazepan-5-one
CID 110873908
(4-methoxyphenyl)-(4-methylidenepiperidin-1-yl)methanone
CID 10657158
1-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione
CID 9159086
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
[4-(benzenesulfonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 1148025
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366218
8-(4-methoxybenzoyl)-1,1-dioxo-4-phenyl-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
CID 91923811
4-[4-(3-methoxyphenyl)-3-oxopiperazine-1-carbonyl]benzonitrile
CID 70735758
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483
(4-methoxyphenyl)-[4-(2-sulfanylbenzoyl)piperazin-1-yl]methanone
CID 108533518
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-phenoxyphenyl)methanone
CID 26868880

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybenzoyl)-4-phenyl-1,4-diazepan-5-one?
The IUPAC name of 1-(4-methoxybenzoyl)-4-phenyl-1,4-diazepan-5-one (CID 110873914) is 1-(4-methoxybenzoyl)-4-phenyl-1,4-diazepan-5-one.
What is the SMILES notation for 1-(4-methoxybenzoyl)-4-phenyl-1,4-diazepan-5-one?
The canonical SMILES for 1-(4-methoxybenzoyl)-4-phenyl-1,4-diazepan-5-one is COc1ccc(C(=O)N2CCC(=O)N(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-methoxybenzoyl)-4-phenyl-1,4-diazepan-5-one?
The InChIKey is FXYCKEJYXZWZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-24-17-9-7-15(8-10-17)19(23)20-12-11-18(22)21(14-13-20)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3.
What are the key properties of 1-(4-methoxybenzoyl)-4-phenyl-1,4-diazepan-5-one?
1-(4-methoxybenzoyl)-4-phenyl-1,4-diazepan-5-one has a molecular weight of 324.38 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybenzoyl)-4-phenyl-1,4-diazepan-5-one is sourced from PubChem (CID 110873914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).