N-(2-methyl-6-propan-2-ylphenyl)-2-(propylamino)acetamide

C15H24N2O — CID 60648439

IUPACN-(2-methyl-6-propan-2-ylphenyl)-2-(propylamino)acetamide
SMILESCCCNCC(=O)Nc1c(C)cccc1C(C)C
InChIInChI=1S/C15H24N2O/c1-5-9-16-10-14(18)17-15-12(4)7-6-8-13(15)11(2)3/h6-8,11,16H,5,9-10H2,1-4H3,(H,17,18)
InChIKeyBBISMTRWAKQPSV-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.06
Rot. Bonds6

About N-(2-methyl-6-propan-2-ylphenyl)-2-(propylamino)acetamide

N-(2-methyl-6-propan-2-ylphenyl)-2-(propylamino)acetamide (PubChem CID 60648439) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(2-methyl-6-propan-2-ylphenyl)-2-(propylamino)acetamide.

Molecular Properties

Compound NameN-(2-methyl-6-propan-2-ylphenyl)-2-(propylamino)acetamide
PubChem CID60648439
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(2-methyl-6-propan-2-ylphenyl)-2-(propylamino)acetamide
SMILESCCCNCC(=O)Nc1c(C)cccc1C(C)C
InChIInChI=1S/C15H24N2O/c1-5-9-16-10-14(18)17-15-12(4)7-6-8-13(15)11(2)3/h6-8,11,16H,5,9-10H2,1-4H3,(H,17,18)
InChIKeyBBISMTRWAKQPSV-UHFFFAOYSA-N
XLogP3.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-methyl-6-propan-2-ylphenyl)-2-(propylamino)acetamide 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-[2-(dimethylamino)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2112763
2-(methylamino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 119674500
N-(2-propan-2-ylphenyl)-2-(propylamino)acetamide
CID 54818713
N-(2-methyl-6-propan-2-ylphenyl)-2-sulfanylacetamide
CID 715390
N-(2-methyl-6-propan-2-ylphenyl)decanamide
CID 3411920
2-[ethyl(methyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 60516691
3-amino-N-(2-methyl-6-propan-2-ylphenyl)-3-sulfanylidenepropanamide
CID 28942450
4-(2-methyl-6-propan-2-ylanilino)-4-oxobutanoic acid
CID 9154947
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
N',N'-diethyl-N-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108951086
N-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119671524
4-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide
CID 79019177

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-2-(propylamino)acetamide?
The IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-2-(propylamino)acetamide (CID 60648439) is N-(2-methyl-6-propan-2-ylphenyl)-2-(propylamino)acetamide.
What is the SMILES notation for N-(2-methyl-6-propan-2-ylphenyl)-2-(propylamino)acetamide?
The canonical SMILES for N-(2-methyl-6-propan-2-ylphenyl)-2-(propylamino)acetamide is CCCNCC(=O)Nc1c(C)cccc1C(C)C.
What is the InChIKey of N-(2-methyl-6-propan-2-ylphenyl)-2-(propylamino)acetamide?
The InChIKey is BBISMTRWAKQPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-5-9-16-10-14(18)17-15-12(4)7-6-8-13(15)11(2)3/h6-8,11,16H,5,9-10H2,1-4H3,(H,17,18).
What are the key properties of N-(2-methyl-6-propan-2-ylphenyl)-2-(propylamino)acetamide?
N-(2-methyl-6-propan-2-ylphenyl)-2-(propylamino)acetamide has a molecular weight of 248.37 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-propan-2-ylphenyl)-2-(propylamino)acetamide is sourced from PubChem (CID 60648439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).