N-(2-methoxy-5-methylphenyl)-4-oxopentanamide

C13H17NO3 — CID 60636995

IUPACN-(2-methoxy-5-methylphenyl)-4-oxopentanamide
SMILESCOc1ccc(C)cc1NC(=O)CCC(C)=O
InChIInChI=1S/C13H17NO3/c1-9-4-6-12(17-3)11(8-9)14-13(16)7-5-10(2)15/h4,6,8H,5,7H2,1-3H3,(H,14,16)
InChIKeyNWVDNLGVDXJNHX-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.31
Rot. Bonds5

About N-(2-methoxy-5-methylphenyl)-4-oxopentanamide

N-(2-methoxy-5-methylphenyl)-4-oxopentanamide (PubChem CID 60636995) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-4-oxopentanamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-4-oxopentanamide
PubChem CID60636995
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-(2-methoxy-5-methylphenyl)-4-oxopentanamide
SMILESCOc1ccc(C)cc1NC(=O)CCC(C)=O
InChIInChI=1S/C13H17NO3/c1-9-4-6-12(17-3)11(8-9)14-13(16)7-5-10(2)15/h4,6,8H,5,7H2,1-3H3,(H,14,16)
InChIKeyNWVDNLGVDXJNHX-UHFFFAOYSA-N
XLogP2.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
4-amino-N-(2-methoxy-5-methylphenyl)-4-sulfanylidenebutanamide
CID 94270072
N-(2-methoxy-5-methylphenyl)dodecanamide
CID 4196048
3-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 2684730
N-(2-methoxy-5-methylphenyl)-3-(4-methylanilino)propanamide
CID 109034471
2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1447930
4-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 26709895
N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]-2-methylpropanamide
CID 50875904
N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778
3-(butylamino)-N-(2-methoxy-5-methylphenyl)propanamide
CID 109012484
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
4-[(2-methoxy-5-methylphenyl)carbamoylamino]-4-oxobutanoic acid
CID 28746072

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-4-oxopentanamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-4-oxopentanamide (CID 60636995) is N-(2-methoxy-5-methylphenyl)-4-oxopentanamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-4-oxopentanamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-4-oxopentanamide is COc1ccc(C)cc1NC(=O)CCC(C)=O.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-4-oxopentanamide?
The InChIKey is NWVDNLGVDXJNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9-4-6-12(17-3)11(8-9)14-13(16)7-5-10(2)15/h4,6,8H,5,7H2,1-3H3,(H,14,16).
What are the key properties of N-(2-methoxy-5-methylphenyl)-4-oxopentanamide?
N-(2-methoxy-5-methylphenyl)-4-oxopentanamide has a molecular weight of 235.28 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-4-oxopentanamide is sourced from PubChem (CID 60636995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).