N-(4-methoxyphenyl)-4-methyl-3-oxopentanamide

C13H17NO3 — CID 10752233

IUPACN-(4-methoxyphenyl)-4-methyl-3-oxopentanamide
SMILESCOc1ccc(NC(=O)CC(=O)C(C)C)cc1
InChIInChI=1S/C13H17NO3/c1-9(2)12(15)8-13(16)14-10-4-6-11(17-3)7-5-10/h4-7,9H,8H2,1-3H3,(H,14,16)
InChIKeyQPSMQPBRGKCWGH-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.25
Rot. Bonds5

About N-(4-methoxyphenyl)-4-methyl-3-oxopentanamide

N-(4-methoxyphenyl)-4-methyl-3-oxopentanamide (PubChem CID 10752233) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-methyl-3-oxopentanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-methyl-3-oxopentanamide
PubChem CID10752233
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-(4-methoxyphenyl)-4-methyl-3-oxopentanamide
SMILESCOc1ccc(NC(=O)CC(=O)C(C)C)cc1
InChIInChI=1S/C13H17NO3/c1-9(2)12(15)8-13(16)14-10-4-6-11(17-3)7-5-10/h4-7,9H,8H2,1-3H3,(H,14,16)
InChIKeyQPSMQPBRGKCWGH-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
N,3-bis(4-methoxyphenyl)-3-oxopropanamide
CID 23763529
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461
(3Z)-3-amino-3-hydroxyimino-N-(4-methoxyphenyl)propanamide
CID 16762435
5-amino-N-(4-methoxyphenyl)-4-methylpentanamide
CID 82017203
[2-(4-methoxyanilino)-2-oxoethyl]carbamic acid
CID 67025275
N-(4-methoxyphenyl)-2-pyridin-4-ylacetamide
CID 110697333
N-[2-(4-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112998708
N-(4-methoxyphenyl)-4-(3-methylbutanoylamino)benzamide
CID 2994922
N-(4-methoxyphenyl)-2-[methyl(2-methylpropyl)amino]acetamide
CID 167278425
N-(4-methoxyphenyl)-2-(3-oxobutan-2-ylsulfanyl)acetamide
CID 3359591
2-(4-methoxyphenoxy)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 4940606

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-methyl-3-oxopentanamide?
The IUPAC name of N-(4-methoxyphenyl)-4-methyl-3-oxopentanamide (CID 10752233) is N-(4-methoxyphenyl)-4-methyl-3-oxopentanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-methyl-3-oxopentanamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-methyl-3-oxopentanamide is COc1ccc(NC(=O)CC(=O)C(C)C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-methyl-3-oxopentanamide?
The InChIKey is QPSMQPBRGKCWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9(2)12(15)8-13(16)14-10-4-6-11(17-3)7-5-10/h4-7,9H,8H2,1-3H3,(H,14,16).
What are the key properties of N-(4-methoxyphenyl)-4-methyl-3-oxopentanamide?
N-(4-methoxyphenyl)-4-methyl-3-oxopentanamide has a molecular weight of 235.28 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-methyl-3-oxopentanamide is sourced from PubChem (CID 10752233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).