3-amino-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)butanamide

C15H24N2O — CID 115154101

IUPAC3-amino-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)butanamide
SMILESCc1ccc(C(C)C)cc1N(C)C(=O)CC(C)N
InChIInChI=1S/C15H24N2O/c1-10(2)13-7-6-11(3)14(9-13)17(5)15(18)8-12(4)16/h6-7,9-10,12H,8,16H2,1-5H3
InChIKeyMCWFWCUKMQKFEW-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.82
Rot. Bonds4

About 3-amino-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)butanamide

3-amino-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)butanamide (PubChem CID 115154101) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)butanamide
PubChem CID115154101
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-amino-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)butanamide
SMILESCc1ccc(C(C)C)cc1N(C)C(=O)CC(C)N
InChIInChI=1S/C15H24N2O/c1-10(2)13-7-6-11(3)14(9-13)17(5)15(18)8-12(4)16/h6-7,9-10,12H,8,16H2,1-5H3
InChIKeyMCWFWCUKMQKFEW-UHFFFAOYSA-N
XLogP2.82
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-amino-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)butanamide 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-chloro-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)acetamide
CID 115161925
N-methyl-N-(2-methyl-5-propan-2-ylphenyl)-4-oxopentanamide
CID 115176806
2-amino-3-hydroxy-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide
CID 115179748
3-amino-N,2-dimethyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide
CID 115153583
3-amino-N-(2,4-dimethylphenyl)-N-methylbutanamide
CID 115154049
3-amino-2-hydroxy-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide
CID 115180425
3-amino-N-(2-bromophenyl)-N-methylbutanamide
CID 115154147
3-amino-N-methyl-N-(3-methylthiophen-2-yl)butanamide
CID 115154152
4-amino-1-(2-methyl-5-propan-2-ylphenyl)pentan-1-one
CID 116916232
N-(chloromethyl)-N,2-dimethyl-5-propan-2-ylaniline
CID 115262883
2-amino-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide
CID 115152451
4-(dimethylamino)-3-(2-methyl-5-propan-2-ylphenyl)butanoic acid
CID 112517187

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)butanamide?
The IUPAC name of 3-amino-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)butanamide (CID 115154101) is 3-amino-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)butanamide.
What is the SMILES notation for 3-amino-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)butanamide?
The canonical SMILES for 3-amino-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)butanamide is Cc1ccc(C(C)C)cc1N(C)C(=O)CC(C)N.
What is the InChIKey of 3-amino-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)butanamide?
The InChIKey is MCWFWCUKMQKFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-10(2)13-7-6-11(3)14(9-13)17(5)15(18)8-12(4)16/h6-7,9-10,12H,8,16H2,1-5H3.
What are the key properties of 3-amino-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)butanamide?
3-amino-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)butanamide has a molecular weight of 248.37 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 115154101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).