5-acetyl-1-benzyl-6-methyl-4-phenyl-1,3-diazinan-2-one

C20H22N2O2 — CID 73324809

IUPAC5-acetyl-1-benzyl-6-methyl-4-phenyl-1,3-diazinan-2-one
SMILESCC(=O)C1C(c2ccccc2)NC(=O)N(Cc2ccccc2)C1C
InChIInChI=1S/C20H22N2O2/c1-14-18(15(2)23)19(17-11-7-4-8-12-17)21-20(24)22(14)13-16-9-5-3-6-10-16/h3-12,14,18-19H,13H2,1-2H3,(H,21,24)
InChIKeyWTQZGPMSEBGSFP-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.55
Rot. Bonds4

About 5-acetyl-1-benzyl-6-methyl-4-phenyl-1,3-diazinan-2-one

5-acetyl-1-benzyl-6-methyl-4-phenyl-1,3-diazinan-2-one (PubChem CID 73324809) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 5-acetyl-1-benzyl-6-methyl-4-phenyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name5-acetyl-1-benzyl-6-methyl-4-phenyl-1,3-diazinan-2-one
PubChem CID73324809
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name5-acetyl-1-benzyl-6-methyl-4-phenyl-1,3-diazinan-2-one
SMILESCC(=O)C1C(c2ccccc2)NC(=O)N(Cc2ccccc2)C1C
InChIInChI=1S/C20H22N2O2/c1-14-18(15(2)23)19(17-11-7-4-8-12-17)21-20(24)22(14)13-16-9-5-3-6-10-16/h3-12,14,18-19H,13H2,1-2H3,(H,21,24)
InChIKeyWTQZGPMSEBGSFP-UHFFFAOYSA-N
XLogP3.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S,5R)-1-benzyl-5-methyl-4-phenylimidazolidin-2-one
CID 131844665
2-(4-acetyl-1-benzyl-5-methyl-2-oxopyrrolidin-3-yl)acetic acid
CID 3486622
2-[(3R,4R,5S)-4-acetyl-1-benzyl-5-methyl-2-oxopyrrolidin-3-yl]acetic acid
CID 928429
methyl 1-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate
CID 73324817
(4R,5R)-1-benzyl-4-(2-hydroxyethyl)-5-methylimidazolidin-2-one
CID 24787335
methyl 6-methyl-2-oxo-4-phenyl-1-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-diazinane-5-carboxylate
CID 73324804
5-acetyl-1-(2-methoxyethyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
CID 73324818
3-benzyl-2-oxo-5-propan-2-ylimidazolidine-4-carboxylic acid
CID 66523901
methyl (4R,5R,6S)-1-cyclopropyl-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate
CID 51680443
(4S,5S)-3-benzyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 11086728
1,3-dibenzyl-5-methyl-2-oxoimidazolidine-4-carboxylic acid
CID 20778181
(4R,5S)-1-benzyl-4-methyl-5-phenylimidazolidine-2-thione
CID 170900554

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-benzyl-6-methyl-4-phenyl-1,3-diazinan-2-one?
The IUPAC name of 5-acetyl-1-benzyl-6-methyl-4-phenyl-1,3-diazinan-2-one (CID 73324809) is 5-acetyl-1-benzyl-6-methyl-4-phenyl-1,3-diazinan-2-one.
What is the SMILES notation for 5-acetyl-1-benzyl-6-methyl-4-phenyl-1,3-diazinan-2-one?
The canonical SMILES for 5-acetyl-1-benzyl-6-methyl-4-phenyl-1,3-diazinan-2-one is CC(=O)C1C(c2ccccc2)NC(=O)N(Cc2ccccc2)C1C.
What is the InChIKey of 5-acetyl-1-benzyl-6-methyl-4-phenyl-1,3-diazinan-2-one?
The InChIKey is WTQZGPMSEBGSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14-18(15(2)23)19(17-11-7-4-8-12-17)21-20(24)22(14)13-16-9-5-3-6-10-16/h3-12,14,18-19H,13H2,1-2H3,(H,21,24).
What are the key properties of 5-acetyl-1-benzyl-6-methyl-4-phenyl-1,3-diazinan-2-one?
5-acetyl-1-benzyl-6-methyl-4-phenyl-1,3-diazinan-2-one has a molecular weight of 322.41 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-benzyl-6-methyl-4-phenyl-1,3-diazinan-2-one is sourced from PubChem (CID 73324809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).