N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethylbutanamide

C15H22N2O3 — CID 9438619

IUPACN-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethylbutanamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)CC(C)C)cc1
InChIInChI=1S/C15H22N2O3/c1-11(2)9-15(19)17(3)10-14(18)16-12-5-7-13(20-4)8-6-12/h5-8,11H,9-10H2,1-4H3,(H,16,18)
InChIKeyGOPVCHDQWQBPRO-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.14
Rot. Bonds6

About N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethylbutanamide

N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethylbutanamide (PubChem CID 9438619) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethylbutanamide
PubChem CID9438619
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethylbutanamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)CC(C)C)cc1
InChIInChI=1S/C15H22N2O3/c1-11(2)9-15(19)17(3)10-14(18)16-12-5-7-13(20-4)8-6-12/h5-8,11H,9-10H2,1-4H3,(H,16,18)
InChIKeyGOPVCHDQWQBPRO-UHFFFAOYSA-N
XLogP2.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide
CID 9438680
2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 7719333
N-(4-methoxyphenyl)-2-[methyl(2-methylpropyl)amino]acetamide
CID 167278425
N-[2-(4-methoxyanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 7936687
N-(4-methoxyphenyl)-2-[methyl-[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 9438276
2-cyclopentyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 9438651
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide
CID 9438703
2-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 27793346
N-(4-methoxyphenyl)-4-(3-methylbutanoylamino)benzamide
CID 2994922
N-[2-(4-methoxyanilino)-2-oxoethyl]-3-(3-methoxyphenyl)-N-methylpropanamide
CID 31973261
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide
CID 9438819
2-[(2-benzylsulfanylacetyl)-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9438577

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethylbutanamide?
The IUPAC name of N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethylbutanamide (CID 9438619) is N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethylbutanamide.
What is the SMILES notation for N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethylbutanamide?
The canonical SMILES for N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethylbutanamide is COc1ccc(NC(=O)CN(C)C(=O)CC(C)C)cc1.
What is the InChIKey of N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethylbutanamide?
The InChIKey is GOPVCHDQWQBPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(2)9-15(19)17(3)10-14(18)16-12-5-7-13(20-4)8-6-12/h5-8,11H,9-10H2,1-4H3,(H,16,18).
What are the key properties of N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethylbutanamide?
N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethylbutanamide has a molecular weight of 278.35 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethylbutanamide is sourced from PubChem (CID 9438619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).