N-butyl-2-(2-methoxy-5-methylphenyl)-2-oxoacetamide

C14H19NO3 — CID 94268084

IUPACN-butyl-2-(2-methoxy-5-methylphenyl)-2-oxoacetamide
SMILESCCCCNC(=O)C(=O)c1cc(C)ccc1OC
InChIInChI=1S/C14H19NO3/c1-4-5-8-15-14(17)13(16)11-9-10(2)6-7-12(11)18-3/h6-7,9H,4-5,8H2,1-3H3,(H,15,17)
InChIKeySKLAZYMHAAZDMP-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.10
Rot. Bonds6

About N-butyl-2-(2-methoxy-5-methylphenyl)-2-oxoacetamide

N-butyl-2-(2-methoxy-5-methylphenyl)-2-oxoacetamide (PubChem CID 94268084) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-butyl-2-(2-methoxy-5-methylphenyl)-2-oxoacetamide.

Molecular Properties

Compound NameN-butyl-2-(2-methoxy-5-methylphenyl)-2-oxoacetamide
PubChem CID94268084
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-butyl-2-(2-methoxy-5-methylphenyl)-2-oxoacetamide
SMILESCCCCNC(=O)C(=O)c1cc(C)ccc1OC
InChIInChI=1S/C14H19NO3/c1-4-5-8-15-14(17)13(16)11-9-10(2)6-7-12(11)18-3/h6-7,9H,4-5,8H2,1-3H3,(H,15,17)
InChIKeySKLAZYMHAAZDMP-UHFFFAOYSA-N
XLogP2.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-(2-methoxy-5-methylphenyl)thiourea
CID 8627468
1-(2-methoxy-5-methylphenyl)undecan-1-one
CID 114968931
N-(4-bromobutyl)-2-methoxy-5-methylbenzamide
CID 106846001
N-butyl-5-iodo-2-methoxybenzamide
CID 132553879
2-methoxy-5-methyl-N,N-dipropylbenzamide
CID 110761077
N-butyl-4,5-dimethoxy-2-methylbenzamide
CID 110763563
2-(3,4-dimethoxyphenyl)-2-oxo-N-propylacetamide
CID 94269258
N-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 17142931
N-(3-azidopropyl)-2-methoxy-5-methylbenzamide
CID 62503381
N-(3-ethoxypropyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108795981
4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]butanoic acid
CID 108795993
N-butyl-2-methoxy-5-sulfamoylbenzamide
CID 31321939

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2-methoxy-5-methylphenyl)-2-oxoacetamide?
The IUPAC name of N-butyl-2-(2-methoxy-5-methylphenyl)-2-oxoacetamide (CID 94268084) is N-butyl-2-(2-methoxy-5-methylphenyl)-2-oxoacetamide.
What is the SMILES notation for N-butyl-2-(2-methoxy-5-methylphenyl)-2-oxoacetamide?
The canonical SMILES for N-butyl-2-(2-methoxy-5-methylphenyl)-2-oxoacetamide is CCCCNC(=O)C(=O)c1cc(C)ccc1OC.
What is the InChIKey of N-butyl-2-(2-methoxy-5-methylphenyl)-2-oxoacetamide?
The InChIKey is SKLAZYMHAAZDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-4-5-8-15-14(17)13(16)11-9-10(2)6-7-12(11)18-3/h6-7,9H,4-5,8H2,1-3H3,(H,15,17).
What are the key properties of N-butyl-2-(2-methoxy-5-methylphenyl)-2-oxoacetamide?
N-butyl-2-(2-methoxy-5-methylphenyl)-2-oxoacetamide has a molecular weight of 249.31 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2-methoxy-5-methylphenyl)-2-oxoacetamide is sourced from PubChem (CID 94268084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).