N-(5-methoxy-2-methylphenyl)-3-oxo-N-(3-oxobutanoyl)butanamide

C16H19NO5 — CID 88742271

IUPACN-(5-methoxy-2-methylphenyl)-3-oxo-N-(3-oxobutanoyl)butanamide
SMILESCOc1ccc(C)c(N(C(=O)CC(C)=O)C(=O)CC(C)=O)c1
InChIInChI=1S/C16H19NO5/c1-10-5-6-13(22-4)9-14(10)17(15(20)7-11(2)18)16(21)8-12(3)19/h5-6,9H,7-8H2,1-4H3
InChIKeyVTLWHUBUVKQZFN-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.82
Rot. Bonds6

About N-(5-methoxy-2-methylphenyl)-3-oxo-N-(3-oxobutanoyl)butanamide

N-(5-methoxy-2-methylphenyl)-3-oxo-N-(3-oxobutanoyl)butanamide (PubChem CID 88742271) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is N-(5-methoxy-2-methylphenyl)-3-oxo-N-(3-oxobutanoyl)butanamide.

Molecular Properties

Compound NameN-(5-methoxy-2-methylphenyl)-3-oxo-N-(3-oxobutanoyl)butanamide
PubChem CID88742271
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC NameN-(5-methoxy-2-methylphenyl)-3-oxo-N-(3-oxobutanoyl)butanamide
SMILESCOc1ccc(C)c(N(C(=O)CC(C)=O)C(=O)CC(C)=O)c1
InChIInChI=1S/C16H19NO5/c1-10-5-6-13(22-4)9-14(10)17(15(20)7-11(2)18)16(21)8-12(3)19/h5-6,9H,7-8H2,1-4H3
InChIKeyVTLWHUBUVKQZFN-UHFFFAOYSA-N
XLogP1.82
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(5-methoxy-2-methylphenyl)-3-oxo-N-(3-oxobutanoyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloro-5-methoxyphenyl)-3-oxo-N-(3-oxobutanoyl)butanamide
CID 23342599
N-(4-methoxy-2-methylphenyl)-3-oxobutanamide
CID 20565334
methyl 2-(5-methoxy-2-methylphenyl)acetate
CID 170997183
N-(5-methoxy-2-methylphenyl)-N-methylmethanesulfonamide
CID 167101167
2-(N-acetyl-2,5-dimethoxyanilino)-N-(2,6-dimethylphenyl)acetamide
CID 113174587
2-(5-methoxy-2-methylanilino)acetic acid
CID 130496332
2-(N-acetyl-2-methylanilino)-N-(2,5-dimethoxyphenyl)acetamide
CID 113167394
5-(2,5-dimethoxy-N-methylanilino)pentan-2-one
CID 115236316
methyl 2-(2,5-dimethoxy-N-methylanilino)acetate
CID 115232741
2-methoxy-1-(5-methoxy-2-methylphenyl)ethanone
CID 19880580
N-(3,4-dimethylphenyl)-N-methyl-3-oxobutanamide
CID 115176241
2-(N-acetyl-5-chloro-2-methylanilino)-N-(3-methoxyphenyl)acetamide
CID 113171944

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-2-methylphenyl)-3-oxo-N-(3-oxobutanoyl)butanamide?
The IUPAC name of N-(5-methoxy-2-methylphenyl)-3-oxo-N-(3-oxobutanoyl)butanamide (CID 88742271) is N-(5-methoxy-2-methylphenyl)-3-oxo-N-(3-oxobutanoyl)butanamide.
What is the SMILES notation for N-(5-methoxy-2-methylphenyl)-3-oxo-N-(3-oxobutanoyl)butanamide?
The canonical SMILES for N-(5-methoxy-2-methylphenyl)-3-oxo-N-(3-oxobutanoyl)butanamide is COc1ccc(C)c(N(C(=O)CC(C)=O)C(=O)CC(C)=O)c1.
What is the InChIKey of N-(5-methoxy-2-methylphenyl)-3-oxo-N-(3-oxobutanoyl)butanamide?
The InChIKey is VTLWHUBUVKQZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5/c1-10-5-6-13(22-4)9-14(10)17(15(20)7-11(2)18)16(21)8-12(3)19/h5-6,9H,7-8H2,1-4H3.
What are the key properties of N-(5-methoxy-2-methylphenyl)-3-oxo-N-(3-oxobutanoyl)butanamide?
N-(5-methoxy-2-methylphenyl)-3-oxo-N-(3-oxobutanoyl)butanamide has a molecular weight of 305.33 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-2-methylphenyl)-3-oxo-N-(3-oxobutanoyl)butanamide is sourced from PubChem (CID 88742271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).