2-(aminomethyl)-N-[2-(2,4-dimethylphenyl)ethyl]-3-methylbutanamide

C16H26N2O — CID 115187571

IUPAC2-(aminomethyl)-N-[2-(2,4-dimethylphenyl)ethyl]-3-methylbutanamide
SMILESCc1ccc(CCNC(=O)C(CN)C(C)C)c(C)c1
InChIInChI=1S/C16H26N2O/c1-11(2)15(10-17)16(19)18-8-7-14-6-5-12(3)9-13(14)4/h5-6,9,11,15H,7-8,10,17H2,1-4H3,(H,18,19)
InChIKeyWNGQPHGFXITCOX-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.19
Rot. Bonds6

About 2-(aminomethyl)-N-[2-(2,4-dimethylphenyl)ethyl]-3-methylbutanamide

2-(aminomethyl)-N-[2-(2,4-dimethylphenyl)ethyl]-3-methylbutanamide (PubChem CID 115187571) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(2,4-dimethylphenyl)ethyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(2,4-dimethylphenyl)ethyl]-3-methylbutanamide
PubChem CID115187571
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(aminomethyl)-N-[2-(2,4-dimethylphenyl)ethyl]-3-methylbutanamide
SMILESCc1ccc(CCNC(=O)C(CN)C(C)C)c(C)c1
InChIInChI=1S/C16H26N2O/c1-11(2)15(10-17)16(19)18-8-7-14-6-5-12(3)9-13(14)4/h5-6,9,11,15H,7-8,10,17H2,1-4H3,(H,18,19)
InChIKeyWNGQPHGFXITCOX-UHFFFAOYSA-N
XLogP2.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(aminomethyl)-N-[2-(2,4-dimethylphenyl)ethyl]-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

2-(aminomethyl)-3-methyl-N-[2-(4-methylphenyl)ethyl]butanamide
CID 115187565
1-(2,4-dimethylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea
CID 3766021
2-(aminomethyl)-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide
CID 115187544
methyl N-[2-(2,4-dimethylphenyl)ethyl]carbamate
CID 110787753
1-butan-2-yl-3-[2-(2,4-dimethylphenyl)ethyl]urea
CID 60590409
N-[(2S)-1-aminopropan-2-yl]-3-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 120507266
1-[2-(2,4-dimethylphenyl)ethyl]-3-propylurea
CID 110775694
N-[2-(2,4-dimethylphenyl)ethyl]-2-sulfanylacetamide
CID 115167356
2-bromo-N-[2-(2,4-dimethylphenyl)ethyl]acetamide
CID 82109034
N-(3-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)propanamide
CID 119995938
2-(aminomethyl)-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide
CID 115187566
N-[2-(2,4-dimethylphenyl)ethyl]-4-oxopentanamide
CID 115176935

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(2,4-dimethylphenyl)ethyl]-3-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(2,4-dimethylphenyl)ethyl]-3-methylbutanamide (CID 115187571) is 2-(aminomethyl)-N-[2-(2,4-dimethylphenyl)ethyl]-3-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(2,4-dimethylphenyl)ethyl]-3-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(2,4-dimethylphenyl)ethyl]-3-methylbutanamide is Cc1ccc(CCNC(=O)C(CN)C(C)C)c(C)c1.
What is the InChIKey of 2-(aminomethyl)-N-[2-(2,4-dimethylphenyl)ethyl]-3-methylbutanamide?
The InChIKey is WNGQPHGFXITCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11(2)15(10-17)16(19)18-8-7-14-6-5-12(3)9-13(14)4/h5-6,9,11,15H,7-8,10,17H2,1-4H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-N-[2-(2,4-dimethylphenyl)ethyl]-3-methylbutanamide?
2-(aminomethyl)-N-[2-(2,4-dimethylphenyl)ethyl]-3-methylbutanamide has a molecular weight of 262.40 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(2,4-dimethylphenyl)ethyl]-3-methylbutanamide is sourced from PubChem (CID 115187571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).