(5S)-5-(4-methoxyphenyl)-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide

C13H17N3O3 — CID 142375780

IUPAC(5S)-5-(4-methoxyphenyl)-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide
SMILESCNC(=O)N1CN(C)C(=O)[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C13H17N3O3/c1-14-13(18)16-8-15(2)12(17)11(16)9-4-6-10(19-3)7-5-9/h4-7,11H,8H2,1-3H3,(H,14,18)/t11-/m0/s1
InChIKeyLNAXRBNBPSAXJW-NSHDSACASA-N
MW263.30 g/mol
LogP0.81
Rot. Bonds2

About (5S)-5-(4-methoxyphenyl)-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide

(5S)-5-(4-methoxyphenyl)-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide (PubChem CID 142375780) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is (5S)-5-(4-methoxyphenyl)-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide.

Molecular Properties

Compound Name(5S)-5-(4-methoxyphenyl)-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide
PubChem CID142375780
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name(5S)-5-(4-methoxyphenyl)-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide
SMILESCNC(=O)N1CN(C)C(=O)[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C13H17N3O3/c1-14-13(18)16-8-15(2)12(17)11(16)9-4-6-10(19-3)7-5-9/h4-7,11H,8H2,1-3H3,(H,14,18)/t11-/m0/s1
InChIKeyLNAXRBNBPSAXJW-NSHDSACASA-N
XLogP0.81
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,5-dimethoxybenzoyl)-3-(4-methoxyphenyl)piperazin-2-one
CID 110644929
(2S)-2-(4-methoxyphenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 96529890
N-[5-(4-methoxyphenyl)-1-methylpiperidin-3-yl]acetamide
CID 112541659
methyl 1-methoxy-4-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxylate
CID 126643590
methyl 4-(4-methoxyphenyl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate
CID 45103665
4-(4-methoxyphenyl)-1-methylpyrrolidin-2-one
CID 18361933
[(3R,4R)-4-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanol
CID 99987286
N-cyclopropyl-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 71689571
1-(4-methoxyphenyl)-N-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 16810890
N-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]formamide
CID 174675557
3-(4-methoxyphenyl)-1-methylazetidine
CID 134399978
2-[[3-(4-methoxyphenyl)cyclobutyl]amino]-N-methylacetamide
CID 43635290

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4-methoxyphenyl)-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide?
The IUPAC name of (5S)-5-(4-methoxyphenyl)-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide (CID 142375780) is (5S)-5-(4-methoxyphenyl)-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide.
What is the SMILES notation for (5S)-5-(4-methoxyphenyl)-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide?
The canonical SMILES for (5S)-5-(4-methoxyphenyl)-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide is CNC(=O)N1CN(C)C(=O)[C@@H]1c1ccc(OC)cc1.
What is the InChIKey of (5S)-5-(4-methoxyphenyl)-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide?
The InChIKey is LNAXRBNBPSAXJW-NSHDSACASA-N. The full InChI is InChI=1S/C13H17N3O3/c1-14-13(18)16-8-15(2)12(17)11(16)9-4-6-10(19-3)7-5-9/h4-7,11H,8H2,1-3H3,(H,14,18)/t11-/m0/s1.
What are the key properties of (5S)-5-(4-methoxyphenyl)-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide?
(5S)-5-(4-methoxyphenyl)-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-methoxyphenyl)-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide is sourced from PubChem (CID 142375780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).