N-(3-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)-N-methylpropanamide

C16H26N2O — CID 115272486

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

About N-(3-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)-N-methylpropanamide

N-(3-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)-N-methylpropanamide (PubChem CID 115272486) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)-N-methylpropanamide
PubChem CID115272486
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(3-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)-N-methylpropanamide
SMILESCc1ccc(CCC(=O)N(C)CC(C)CN)c(C)c1
InChIInChI=1S/C16H26N2O/c1-12-5-6-15(14(3)9-12)7-8-16(19)18(4)11-13(2)10-17/h5-6,9,13H,7-8,10-11,17H2,1-4H3
InChIKeySBFZNLMMTGWLII-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

(2S)-3-[3-(2,4-dimethylphenyl)propanoyl-methylamino]-2-methylpropanoic acid
CID 97324500
4-amino-N-[2-(2,4-dimethylphenyl)ethyl]-N,3-dimethylbutanamide
CID 115156481
3-(2,4-dimethylphenyl)-N-(3-hydroxybutyl)-N-methylpropanamide
CID 111695476
N-(3-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)propanamide
CID 119995938
N-(3-amino-2-methylpropyl)-3-(4-fluoro-3-methylphenyl)-N-methylpropanamide
CID 115272485
2-[3-(2,4-dimethylphenyl)propanoyl-methylamino]propanoic acid
CID 119209194
1-amino-4-(2,4-dimethylphenyl)butan-2-one
CID 82281462
N-[(2S)-1-aminopropan-2-yl]-3-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 120507266
3-(2,4-dimethylphenyl)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylpropanamide
CID 111695243
N-(3-amino-2-methylpropyl)-N-methyl-2-(4-methylphenoxy)acetamide
CID 115267653
5-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,4-dimethylpentanamide
CID 82011236
3-(2,4-dimethylphenyl)propanoic acid
CID 3870217

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)-N-methylpropanamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)-N-methylpropanamide (CID 115272486) is N-(3-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)-N-methylpropanamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)-N-methylpropanamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)-N-methylpropanamide is Cc1ccc(CCC(=O)N(C)CC(C)CN)c(C)c1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)-N-methylpropanamide?
The InChIKey is SBFZNLMMTGWLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-5-6-15(14(3)9-12)7-8-16(19)18(4)11-13(2)10-17/h5-6,9,13H,7-8,10-11,17H2,1-4H3.
What are the key properties of N-(3-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)-N-methylpropanamide?
N-(3-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)-N-methylpropanamide 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 N-(3-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)-N-methylpropanamide is sourced from PubChem (CID 115272486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).