4-[(3-chloro-4-methoxyphenyl)carbamoylamino]-N,4-dimethylpentanamide

C15H22ClN3O3 — CID 74235615

IUPAC4-[(3-chloro-4-methoxyphenyl)carbamoylamino]-N,4-dimethylpentanamide
SMILESCNC(=O)CCC(C)(C)NC(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C15H22ClN3O3/c1-15(2,8-7-13(20)17-3)19-14(21)18-10-5-6-12(22-4)11(16)9-10/h5-6,9H,7-8H2,1-4H3,(H,17,20)(H2,18,19,21)
InChIKeyABWNYSYJOWIZBP-UHFFFAOYSA-N
MW327.81 g/mol
LogP2.77
Rot. Bonds6

About 4-[(3-chloro-4-methoxyphenyl)carbamoylamino]-N,4-dimethylpentanamide

4-[(3-chloro-4-methoxyphenyl)carbamoylamino]-N,4-dimethylpentanamide (PubChem CID 74235615) has the molecular formula C15H22ClN3O3 and a molecular weight of 327.81 g/mol. Its IUPAC name is 4-[(3-chloro-4-methoxyphenyl)carbamoylamino]-N,4-dimethylpentanamide.

Molecular Properties

Compound Name4-[(3-chloro-4-methoxyphenyl)carbamoylamino]-N,4-dimethylpentanamide
PubChem CID74235615
Molecular FormulaC15H22ClN3O3
Molecular Weight327.81 g/mol
Exact Mass327.13
IUPAC Name4-[(3-chloro-4-methoxyphenyl)carbamoylamino]-N,4-dimethylpentanamide
SMILESCNC(=O)CCC(C)(C)NC(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C15H22ClN3O3/c1-15(2,8-7-13(20)17-3)19-14(21)18-10-5-6-12(22-4)11(16)9-10/h5-6,9H,7-8H2,1-4H3,(H,17,20)(H2,18,19,21)
InChIKeyABWNYSYJOWIZBP-UHFFFAOYSA-N
XLogP2.77
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-3-(2,4,4-trimethylpentan-2-yl)urea
CID 10245038
4-[(4-fluoro-3-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 114840334
1-(3-chloro-4-methoxyphenyl)-3-[2-(4-chlorophenyl)propan-2-yl]urea
CID 113216338
1-(3-fluoro-4-methoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111754626
1-(3-chloro-4-propan-2-yloxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111925980
N,4-dimethyl-4-[(4-methyl-3-propan-2-ylphenyl)carbamoylamino]pentanamide
CID 72877658
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
4-[(3-ethoxy-4-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 122076618
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
N-(3-chloro-4-methoxyphenyl)-3-(3,4-dimethylanilino)propanamide
CID 109035530
N-(3-chloro-4-methoxyphenyl)-3-(3-chloro-4-methylanilino)propanamide
CID 109038668
4-[(4-ethylsulfanylphenyl)carbamoylamino]-N,4-dimethylpentanamide
CID 118770134

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-methoxyphenyl)carbamoylamino]-N,4-dimethylpentanamide?
The IUPAC name of 4-[(3-chloro-4-methoxyphenyl)carbamoylamino]-N,4-dimethylpentanamide (CID 74235615) is 4-[(3-chloro-4-methoxyphenyl)carbamoylamino]-N,4-dimethylpentanamide.
What is the SMILES notation for 4-[(3-chloro-4-methoxyphenyl)carbamoylamino]-N,4-dimethylpentanamide?
The canonical SMILES for 4-[(3-chloro-4-methoxyphenyl)carbamoylamino]-N,4-dimethylpentanamide is CNC(=O)CCC(C)(C)NC(=O)Nc1ccc(OC)c(Cl)c1.
What is the InChIKey of 4-[(3-chloro-4-methoxyphenyl)carbamoylamino]-N,4-dimethylpentanamide?
The InChIKey is ABWNYSYJOWIZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O3/c1-15(2,8-7-13(20)17-3)19-14(21)18-10-5-6-12(22-4)11(16)9-10/h5-6,9H,7-8H2,1-4H3,(H,17,20)(H2,18,19,21).
What are the key properties of 4-[(3-chloro-4-methoxyphenyl)carbamoylamino]-N,4-dimethylpentanamide?
4-[(3-chloro-4-methoxyphenyl)carbamoylamino]-N,4-dimethylpentanamide has a molecular weight of 327.81 g/mol, XLogP of 2.77, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-methoxyphenyl)carbamoylamino]-N,4-dimethylpentanamide is sourced from PubChem (CID 74235615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).