N-cyclopropyl-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide

C15H19NO3 — CID 18105952

IUPACN-cyclopropyl-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
SMILESCOc1ccc(C)cc1C(=O)CCC(=O)NC1CC1
InChIInChI=1S/C15H19NO3/c1-10-3-7-14(19-2)12(9-10)13(17)6-8-15(18)16-11-4-5-11/h3,7,9,11H,4-6,8H2,1-2H3,(H,16,18)
InChIKeyIJNWVCKNCZJAKS-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.25
Rot. Bonds6

About N-cyclopropyl-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide

N-cyclopropyl-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide (PubChem CID 18105952) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-cyclopropyl-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
PubChem CID18105952
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-cyclopropyl-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
SMILESCOc1ccc(C)cc1C(=O)CCC(=O)NC1CC1
InChIInChI=1S/C15H19NO3/c1-10-3-7-14(19-2)12(9-10)13(17)6-8-15(18)16-11-4-5-11/h3,7,9,11H,4-6,8H2,1-2H3,(H,16,18)
InChIKeyIJNWVCKNCZJAKS-UHFFFAOYSA-N
XLogP2.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methoxy-5-methylphenyl)-N-(2-methylcyclohexyl)-4-oxobutanamide
CID 108796049
4-(2-methoxy-5-methylphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-4-oxobutanamide
CID 108734145
4-(2-methoxy-5-methylphenyl)-4-oxo-N-(2,4,4-trimethylpentan-2-yl)butanamide
CID 108796059
1-(2-methoxy-5-methylphenyl)pentane-1,4-dione
CID 94682943
4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]butanoic acid
CID 108795993
N-cycloheptyl-4-(3,4-dimethoxyphenyl)-4-oxobutanamide
CID 17457747
N-(4-bromocyclohexyl)-2-methoxy-5-methylbenzamide
CID 113274311
N-cyclohexyl-2-(2-methoxy-5-methylphenyl)acetamide
CID 18108630
2-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]-3-methylbutanoic acid
CID 108795992
N-(3-ethoxypropyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108795981
3-methoxy-1-(2-methoxy-5-methylphenyl)propan-1-one
CID 62796966
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108552045

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide?
The IUPAC name of N-cyclopropyl-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide (CID 18105952) is N-cyclopropyl-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-cyclopropyl-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide?
The canonical SMILES for N-cyclopropyl-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide is COc1ccc(C)cc1C(=O)CCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide?
The InChIKey is IJNWVCKNCZJAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10-3-7-14(19-2)12(9-10)13(17)6-8-15(18)16-11-4-5-11/h3,7,9,11H,4-6,8H2,1-2H3,(H,16,18).
What are the key properties of N-cyclopropyl-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide?
N-cyclopropyl-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide has a molecular weight of 261.32 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide is sourced from PubChem (CID 18105952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).