2-[(2,5-dimethylphenyl)methylamino]-N-propan-2-ylpropanamide

C15H24N2O — CID 113406667

IUPAC2-[(2,5-dimethylphenyl)methylamino]-N-propan-2-ylpropanamide
SMILESCc1ccc(C)c(CNC(C)C(=O)NC(C)C)c1
InChIInChI=1S/C15H24N2O/c1-10(2)17-15(18)13(5)16-9-14-8-11(3)6-7-12(14)4/h6-8,10,13,16H,9H2,1-5H3,(H,17,18)
InChIKeyZBSMVNPWGPRABC-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.31
Rot. Bonds5

About 2-[(2,5-dimethylphenyl)methylamino]-N-propan-2-ylpropanamide

2-[(2,5-dimethylphenyl)methylamino]-N-propan-2-ylpropanamide (PubChem CID 113406667) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)methylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)methylamino]-N-propan-2-ylpropanamide
PubChem CID113406667
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[(2,5-dimethylphenyl)methylamino]-N-propan-2-ylpropanamide
SMILESCc1ccc(C)c(CNC(C)C(=O)NC(C)C)c1
InChIInChI=1S/C15H24N2O/c1-10(2)17-15(18)13(5)16-9-14-8-11(3)6-7-12(14)4/h6-8,10,13,16H,9H2,1-5H3,(H,17,18)
InChIKeyZBSMVNPWGPRABC-UHFFFAOYSA-N
XLogP2.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(2,5-dimethylphenyl)methylamino]-N-propan-2-ylpropanamide 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-chloro-4-methylphenyl)methylamino]-N-propan-2-ylpropanamide
CID 106863106
ethyl 2-[(2,5-dimethylphenyl)methylamino]propanoate
CID 54960586
N-[(2,5-dimethylphenyl)methyl]propan-2-amine
CID 43090140
1-[(2,5-dimethylphenyl)methyl]-3-propan-2-ylurea
CID 110774794
2-[(4-methyl-3-pyridinyl)methylamino]-N-propan-2-ylpropanamide
CID 113406700
2-[(3-fluoro-4-methylphenyl)methylamino]-N-propan-2-ylpropanamide
CID 112683661
2-[(2-hydroxy-5-methylphenyl)methylamino]-N-methylpropanamide
CID 63324695
(2S)-2-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoic acid
CID 62538173
(2R)-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide
CID 103944137
(2S)-2-[(2,5-dimethylphenyl)methylamino]-4-methylpentanoic acid
CID 120510814
(2S)-N-[(2,5-dimethylphenyl)methyl]butan-2-amine
CID 93116797
(3R)-3-[(2,5-dimethylphenyl)methylamino]butan-1-ol
CID 103854725

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)methylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[(2,5-dimethylphenyl)methylamino]-N-propan-2-ylpropanamide (CID 113406667) is 2-[(2,5-dimethylphenyl)methylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)methylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[(2,5-dimethylphenyl)methylamino]-N-propan-2-ylpropanamide is Cc1ccc(C)c(CNC(C)C(=O)NC(C)C)c1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)methylamino]-N-propan-2-ylpropanamide?
The InChIKey is ZBSMVNPWGPRABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-10(2)17-15(18)13(5)16-9-14-8-11(3)6-7-12(14)4/h6-8,10,13,16H,9H2,1-5H3,(H,17,18).
What are the key properties of 2-[(2,5-dimethylphenyl)methylamino]-N-propan-2-ylpropanamide?
2-[(2,5-dimethylphenyl)methylamino]-N-propan-2-ylpropanamide has a molecular weight of 248.37 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)methylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 113406667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).