N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide

C15H22N2O4 — CID 112999279

IUPACN-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide
SMILESCOc1ccc(NC(=O)CNC(=O)CC(C)C)cc1OC
InChIInChI=1S/C15H22N2O4/c1-10(2)7-14(18)16-9-15(19)17-11-5-6-12(20-3)13(8-11)21-4/h5-6,8,10H,7,9H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyXRHWYAWEBIEEQQ-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.80
Rot. Bonds7

About N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide

N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide (PubChem CID 112999279) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide
PubChem CID112999279
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide
SMILESCOc1ccc(NC(=O)CNC(=O)CC(C)C)cc1OC
InChIInChI=1S/C15H22N2O4/c1-10(2)7-14(18)16-9-15(19)17-11-5-6-12(20-3)13(8-11)21-4/h5-6,8,10H,7,9H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyXRHWYAWEBIEEQQ-UHFFFAOYSA-N
XLogP1.80
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide 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-[(3,4-dimethoxyphenyl)carbamothioyl]-3-methylbutanamide
CID 54781521
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112999287
N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687188
N-[(5-acetamido-2-methoxyphenyl)methyl]-3-methylbutanamide
CID 110784111
N-[2-(4-fluoroanilino)-2-oxoethyl]-3-methylbutanamide
CID 5205104
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782633
N-[2-(3-acetylanilino)-2-oxoethyl]-3-methylbutanamide
CID 112999507
2-(4,5-dimethoxy-2-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9105356
N-(3,4-dimethoxyphenyl)-3-hydroxypropanamide
CID 94259640
N-(3,4-dimethoxyphenyl)-3-(3-methylbutylamino)propanamide
CID 109032052
N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide
CID 113001550

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide?
The IUPAC name of N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide (CID 112999279) is N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide is COc1ccc(NC(=O)CNC(=O)CC(C)C)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide?
The InChIKey is XRHWYAWEBIEEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-10(2)7-14(18)16-9-15(19)17-11-5-6-12(20-3)13(8-11)21-4/h5-6,8,10H,7,9H2,1-4H3,(H,16,18)(H,17,19).
What are the key properties of N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide?
N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide has a molecular weight of 294.35 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide is sourced from PubChem (CID 112999279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).