2-amino-3-methyl-N-[(4-methylphenyl)methyl]-N-propylbutanamide

C16H26N2O — CID 54869423

IUPAC2-amino-3-methyl-N-[(4-methylphenyl)methyl]-N-propylbutanamide
SMILESCCCN(Cc1ccc(C)cc1)C(=O)C(N)C(C)C
InChIInChI=1S/C16H26N2O/c1-5-10-18(16(19)15(17)12(2)3)11-14-8-6-13(4)7-9-14/h6-9,12,15H,5,10-11,17H2,1-4H3
InChIKeyZINXNEVNUDKRKM-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.72
Rot. Bonds6

About 2-amino-3-methyl-N-[(4-methylphenyl)methyl]-N-propylbutanamide

2-amino-3-methyl-N-[(4-methylphenyl)methyl]-N-propylbutanamide (PubChem CID 54869423) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[(4-methylphenyl)methyl]-N-propylbutanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[(4-methylphenyl)methyl]-N-propylbutanamide
PubChem CID54869423
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-amino-3-methyl-N-[(4-methylphenyl)methyl]-N-propylbutanamide
SMILESCCCN(Cc1ccc(C)cc1)C(=O)C(N)C(C)C
InChIInChI=1S/C16H26N2O/c1-5-10-18(16(19)15(17)12(2)3)11-14-8-6-13(4)7-9-14/h6-9,12,15H,5,10-11,17H2,1-4H3
InChIKeyZINXNEVNUDKRKM-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-amino-3-methyl-N-[(4-methylphenyl)methyl]-N-propylbutanamide 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

3-amino-N-[(4-methylphenyl)methyl]-N-propylbutanamide
CID 54869448
(2S)-2-amino-3-methyl-N-[(4-methylphenyl)methyl]-N-propan-2-ylbutanamide
CID 66568264
N-[(4-aminophenyl)methyl]-2-methyl-N-propylpropanamide
CID 43459453
(2S)-2-amino-3-methyl-N,N-dipropylbutanamide
CID 22690786
(2S,3S)-2-amino-N-[(4-cyanophenyl)methyl]-3-methyl-N-propylpentanamide
CID 61163539
2-(aminomethyl)-2-ethyl-N-[(4-methylphenyl)methyl]-N-propylbutanamide
CID 115432024
2,2,3,3-tetrafluoro-N-[(4-methylphenyl)methyl]-N-propylpropanamide
CID 103732461
(2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 61163391
(2R)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-propylbutanamide
CID 79012704
2-(methylamino)-N-[(4-methylphenyl)methyl]-N-propylacetamide
CID 60686287
(2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N,3-dimethylbutanamide
CID 79013489
2-methyl-3-[methyl-[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl]amino]propanoic acid
CID 122120137

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[(4-methylphenyl)methyl]-N-propylbutanamide?
The IUPAC name of 2-amino-3-methyl-N-[(4-methylphenyl)methyl]-N-propylbutanamide (CID 54869423) is 2-amino-3-methyl-N-[(4-methylphenyl)methyl]-N-propylbutanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[(4-methylphenyl)methyl]-N-propylbutanamide?
The canonical SMILES for 2-amino-3-methyl-N-[(4-methylphenyl)methyl]-N-propylbutanamide is CCCN(Cc1ccc(C)cc1)C(=O)C(N)C(C)C.
What is the InChIKey of 2-amino-3-methyl-N-[(4-methylphenyl)methyl]-N-propylbutanamide?
The InChIKey is ZINXNEVNUDKRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-10-18(16(19)15(17)12(2)3)11-14-8-6-13(4)7-9-14/h6-9,12,15H,5,10-11,17H2,1-4H3.
What are the key properties of 2-amino-3-methyl-N-[(4-methylphenyl)methyl]-N-propylbutanamide?
2-amino-3-methyl-N-[(4-methylphenyl)methyl]-N-propylbutanamide has a molecular weight of 262.40 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[(4-methylphenyl)methyl]-N-propylbutanamide is sourced from PubChem (CID 54869423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).