4-amino-N-[2-(2,4-dimethylphenyl)ethyl]-N,3-dimethylbutanamide

C16H26N2O — CID 115156481

IUPAC4-amino-N-[2-(2,4-dimethylphenyl)ethyl]-N,3-dimethylbutanamide
SMILESCc1ccc(CCN(C)C(=O)CC(C)CN)c(C)c1
InChIInChI=1S/C16H26N2O/c1-12-5-6-15(14(3)9-12)7-8-18(4)16(19)10-13(2)11-17/h5-6,9,13H,7-8,10-11,17H2,1-4H3
InChIKeyGTFPIFFKJBZBQA-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.29
Rot. Bonds6

About 4-amino-N-[2-(2,4-dimethylphenyl)ethyl]-N,3-dimethylbutanamide

4-amino-N-[2-(2,4-dimethylphenyl)ethyl]-N,3-dimethylbutanamide (PubChem CID 115156481) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-amino-N-[2-(2,4-dimethylphenyl)ethyl]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name4-amino-N-[2-(2,4-dimethylphenyl)ethyl]-N,3-dimethylbutanamide
PubChem CID115156481
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-amino-N-[2-(2,4-dimethylphenyl)ethyl]-N,3-dimethylbutanamide
SMILESCc1ccc(CCN(C)C(=O)CC(C)CN)c(C)c1
InChIInChI=1S/C16H26N2O/c1-12-5-6-15(14(3)9-12)7-8-18(4)16(19)10-13(2)11-17/h5-6,9,13H,7-8,10-11,17H2,1-4H3
InChIKeyGTFPIFFKJBZBQA-UHFFFAOYSA-N
XLogP2.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)-N-methylpropanamide
CID 115272486
N-[2-(2,4-dimethylphenyl)ethyl]-N-methyl-3-oxobutanamide
CID 115176598
2-(2,4-dimethylphenyl)ethyl-methylcarbamic acid
CID 115171227
2-amino-N-[2-(2,5-dimethylphenyl)ethyl]-N-methylacetamide
CID 82127686
4-amino-N,3-dimethyl-N-(2,4,6-trimethylphenyl)butanamide
CID 115156292
3-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide
CID 81087736
3-(2,4-dimethylphenyl)-N-(3-hydroxybutyl)-N-methylpropanamide
CID 111695476
4-amino-N,3-dimethyl-N-[2-(1H-pyrrol-2-yl)ethyl]butanamide
CID 115156483
N-(3-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)propanamide
CID 119995938
N-[2-(2,4-dimethylphenyl)ethyl]-2-(hydroxymethyl)-N-methylbutanamide
CID 115186751
3-amino-N-[2-(2,4-dimethylphenyl)ethyl]-N-methylcyclobutane-1-carboxamide
CID 115161721
1-N-[2-(2,4-dimethylphenyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 115196905

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2,4-dimethylphenyl)ethyl]-N,3-dimethylbutanamide?
The IUPAC name of 4-amino-N-[2-(2,4-dimethylphenyl)ethyl]-N,3-dimethylbutanamide (CID 115156481) is 4-amino-N-[2-(2,4-dimethylphenyl)ethyl]-N,3-dimethylbutanamide.
What is the SMILES notation for 4-amino-N-[2-(2,4-dimethylphenyl)ethyl]-N,3-dimethylbutanamide?
The canonical SMILES for 4-amino-N-[2-(2,4-dimethylphenyl)ethyl]-N,3-dimethylbutanamide is Cc1ccc(CCN(C)C(=O)CC(C)CN)c(C)c1.
What is the InChIKey of 4-amino-N-[2-(2,4-dimethylphenyl)ethyl]-N,3-dimethylbutanamide?
The InChIKey is GTFPIFFKJBZBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-5-6-15(14(3)9-12)7-8-18(4)16(19)10-13(2)11-17/h5-6,9,13H,7-8,10-11,17H2,1-4H3.
What are the key properties of 4-amino-N-[2-(2,4-dimethylphenyl)ethyl]-N,3-dimethylbutanamide?
4-amino-N-[2-(2,4-dimethylphenyl)ethyl]-N,3-dimethylbutanamide has a molecular weight of 262.40 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2,4-dimethylphenyl)ethyl]-N,3-dimethylbutanamide is sourced from PubChem (CID 115156481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).