(2S,5R)-1-benzoyl-5-(4-methoxyphenyl)-2-propan-2-yl-1,3-diazinan-4-one

C21H24N2O3 — CID 50905196

IUPAC(2S,5R)-1-benzoyl-5-(4-methoxyphenyl)-2-propan-2-yl-1,3-diazinan-4-one
SMILESCOc1ccc([C@@H]2CN(C(=O)c3ccccc3)[C@@H](C(C)C)NC2=O)cc1
InChIInChI=1S/C21H24N2O3/c1-14(2)19-22-20(24)18(15-9-11-17(26-3)12-10-15)13-23(19)21(25)16-7-5-4-6-8-16/h4-12,14,18-19H,13H2,1-3H3,(H,22,24)/t18-,19-/m0/s1
InChIKeyOJURDJPUKYZWPT-OALUTQOASA-N
MW352.43 g/mol
LogP3.03
Rot. Bonds4

About (2S,5R)-1-benzoyl-5-(4-methoxyphenyl)-2-propan-2-yl-1,3-diazinan-4-one

(2S,5R)-1-benzoyl-5-(4-methoxyphenyl)-2-propan-2-yl-1,3-diazinan-4-one (PubChem CID 50905196) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is (2S,5R)-1-benzoyl-5-(4-methoxyphenyl)-2-propan-2-yl-1,3-diazinan-4-one.

Molecular Properties

Compound Name(2S,5R)-1-benzoyl-5-(4-methoxyphenyl)-2-propan-2-yl-1,3-diazinan-4-one
PubChem CID50905196
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name(2S,5R)-1-benzoyl-5-(4-methoxyphenyl)-2-propan-2-yl-1,3-diazinan-4-one
SMILESCOc1ccc([C@@H]2CN(C(=O)c3ccccc3)[C@@H](C(C)C)NC2=O)cc1
InChIInChI=1S/C21H24N2O3/c1-14(2)19-22-20(24)18(15-9-11-17(26-3)12-10-15)13-23(19)21(25)16-7-5-4-6-8-16/h4-12,14,18-19H,13H2,1-3H3,(H,22,24)/t18-,19-/m0/s1
InChIKeyOJURDJPUKYZWPT-OALUTQOASA-N
XLogP3.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,5R)-1-benzoyl-5-(4-methoxyphenyl)-2-propan-2-yl-1,3-diazinan-4-one with MolForge

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Related Compounds

4-(4-methoxybenzoyl)-3-propan-2-ylpiperazin-2-one
CID 110873327
(4-methoxyphenyl)-(2-methylaziridin-1-yl)methanone
CID 11194838
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
(4-methoxyphenyl)-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)methanone
CID 110316317
(4-methoxyphenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332417
(4-methoxyphenyl)-(2-methyl-5-phenyl-1,3-oxazolidin-3-yl)methanone
CID 110740536
2-amino-3-(1-benzoylpiperidin-4-yl)-5,5-bis(4-methoxyphenyl)imidazol-4-one
CID 86273116
4-[1-benzoyl-6-(4-methoxyphenyl)piperidin-2-yl]benzaldehyde
CID 126657946
1-acetyl-3-(4-methoxybenzoyl)-6,6-diphenyl-3-azabicyclo[3.1.0]hexan-2-one
CID 134832544
1,4-diazabicyclo[3.2.1]octan-4-yl-(4-methoxyphenyl)methanone
CID 11608465
(4-methoxyphenyl)-(5-methyl-2-phenylmorpholin-4-yl)methanone
CID 110369323
1-(4-methoxybenzoyl)-4-phenylpyrrolidin-2-one
CID 3537198

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-1-benzoyl-5-(4-methoxyphenyl)-2-propan-2-yl-1,3-diazinan-4-one?
The IUPAC name of (2S,5R)-1-benzoyl-5-(4-methoxyphenyl)-2-propan-2-yl-1,3-diazinan-4-one (CID 50905196) is (2S,5R)-1-benzoyl-5-(4-methoxyphenyl)-2-propan-2-yl-1,3-diazinan-4-one.
What is the SMILES notation for (2S,5R)-1-benzoyl-5-(4-methoxyphenyl)-2-propan-2-yl-1,3-diazinan-4-one?
The canonical SMILES for (2S,5R)-1-benzoyl-5-(4-methoxyphenyl)-2-propan-2-yl-1,3-diazinan-4-one is COc1ccc([C@@H]2CN(C(=O)c3ccccc3)[C@@H](C(C)C)NC2=O)cc1.
What is the InChIKey of (2S,5R)-1-benzoyl-5-(4-methoxyphenyl)-2-propan-2-yl-1,3-diazinan-4-one?
The InChIKey is OJURDJPUKYZWPT-OALUTQOASA-N. The full InChI is InChI=1S/C21H24N2O3/c1-14(2)19-22-20(24)18(15-9-11-17(26-3)12-10-15)13-23(19)21(25)16-7-5-4-6-8-16/h4-12,14,18-19H,13H2,1-3H3,(H,22,24)/t18-,19-/m0/s1.
What are the key properties of (2S,5R)-1-benzoyl-5-(4-methoxyphenyl)-2-propan-2-yl-1,3-diazinan-4-one?
(2S,5R)-1-benzoyl-5-(4-methoxyphenyl)-2-propan-2-yl-1,3-diazinan-4-one has a molecular weight of 352.43 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-1-benzoyl-5-(4-methoxyphenyl)-2-propan-2-yl-1,3-diazinan-4-one is sourced from PubChem (CID 50905196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).