N-(2,4-dimethoxyphenyl)-4-methyl-3-(oxomethylidene)pentanamide

C15H19NO4 — CID 141249882

IUPACN-(2,4-dimethoxyphenyl)-4-methyl-3-(oxomethylidene)pentanamide
SMILESCOc1ccc(NC(=O)CC(=C=O)C(C)C)c(OC)c1
InChIInChI=1S/C15H19NO4/c1-10(2)11(9-17)7-15(18)16-13-6-5-12(19-3)8-14(13)20-4/h5-6,8,10H,7H2,1-4H3,(H,16,18)
InChIKeyFKDQUGBHLOJWOL-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.45
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-4-methyl-3-(oxomethylidene)pentanamide

N-(2,4-dimethoxyphenyl)-4-methyl-3-(oxomethylidene)pentanamide (PubChem CID 141249882) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-4-methyl-3-(oxomethylidene)pentanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-4-methyl-3-(oxomethylidene)pentanamide
PubChem CID141249882
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC NameN-(2,4-dimethoxyphenyl)-4-methyl-3-(oxomethylidene)pentanamide
SMILESCOc1ccc(NC(=O)CC(=C=O)C(C)C)c(OC)c1
InChIInChI=1S/C15H19NO4/c1-10(2)11(9-17)7-15(18)16-13-6-5-12(19-3)8-14(13)20-4/h5-6,8,10H,7H2,1-4H3,(H,16,18)
InChIKeyFKDQUGBHLOJWOL-UHFFFAOYSA-N
XLogP2.45
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]-2-methylpropanamide
CID 50875892
N-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)butanamide
CID 110297262
N-(2,4-dimethoxyphenyl)-3-(ethylamino)butanamide
CID 60663376
N-(2,4-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 868059
3-[3-(2,4-dimethoxyanilino)-3-oxopropyl]sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
CID 2933269
3-[acetyl(propan-2-yl)amino]-N-(2,4-dimethoxyphenyl)propanamide
CID 113115251
N-(2,4-dimethoxyphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 18086226
3-amino-N-(2,4-dimethoxyphenyl)-3-iminopropanamide
CID 99990373
N-(2,4-dimethoxyphenyl)-3-(2-methylpropoxy)propanamide
CID 38956787
N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112999225
N-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanamide
CID 79195727
N-(2,4-dimethoxyphenyl)-5-hydroxypentanamide
CID 79019431

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-4-methyl-3-(oxomethylidene)pentanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-4-methyl-3-(oxomethylidene)pentanamide (CID 141249882) is N-(2,4-dimethoxyphenyl)-4-methyl-3-(oxomethylidene)pentanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-4-methyl-3-(oxomethylidene)pentanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-4-methyl-3-(oxomethylidene)pentanamide is COc1ccc(NC(=O)CC(=C=O)C(C)C)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-4-methyl-3-(oxomethylidene)pentanamide?
The InChIKey is FKDQUGBHLOJWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10(2)11(9-17)7-15(18)16-13-6-5-12(19-3)8-14(13)20-4/h5-6,8,10H,7H2,1-4H3,(H,16,18).
What are the key properties of N-(2,4-dimethoxyphenyl)-4-methyl-3-(oxomethylidene)pentanamide?
N-(2,4-dimethoxyphenyl)-4-methyl-3-(oxomethylidene)pentanamide has a molecular weight of 277.32 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-4-methyl-3-(oxomethylidene)pentanamide is sourced from PubChem (CID 141249882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).