(2S)-2-amino-3-methyl-N-[(4-methylphenyl)methyl]-N-propan-2-ylbutanamide

C16H26N2O — CID 66568264

IUPAC(2S)-2-amino-3-methyl-N-[(4-methylphenyl)methyl]-N-propan-2-ylbutanamide
SMILESCc1ccc(CN(C(=O)[C@@H](N)C(C)C)C(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-11(2)15(17)16(19)18(12(3)4)10-14-8-6-13(5)7-9-14/h6-9,11-12,15H,10,17H2,1-5H3/t15-/m0/s1
InChIKeyFNZYBFUFGYORBJ-HNNXBMFYSA-N
MW262.40 g/mol
LogP2.72
Rot. Bonds5

About (2S)-2-amino-3-methyl-N-[(4-methylphenyl)methyl]-N-propan-2-ylbutanamide

(2S)-2-amino-3-methyl-N-[(4-methylphenyl)methyl]-N-propan-2-ylbutanamide (PubChem CID 66568264) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[(4-methylphenyl)methyl]-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[(4-methylphenyl)methyl]-N-propan-2-ylbutanamide
PubChem CID66568264
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(2S)-2-amino-3-methyl-N-[(4-methylphenyl)methyl]-N-propan-2-ylbutanamide
SMILESCc1ccc(CN(C(=O)[C@@H](N)C(C)C)C(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-11(2)15(17)16(19)18(12(3)4)10-14-8-6-13(5)7-9-14/h6-9,11-12,15H,10,17H2,1-5H3/t15-/m0/s1
InChIKeyFNZYBFUFGYORBJ-HNNXBMFYSA-N
XLogP2.72
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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 (2S)-2-amino-3-methyl-N-[(4-methylphenyl)methyl]-N-propan-2-ylbutanamide 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

(2S)-2-amino-N-benzyl-3-methyl-N-propan-2-ylbutanamide
CID 22690747
2-amino-3-methyl-N-[(4-methylphenyl)methyl]-N-propylbutanamide
CID 54869423
2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)butanamide
CID 54873763
3-amino-N-[(4-methylphenyl)methyl]-N-propan-2-ylpropanamide
CID 92930297
2-amino-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 54946987
2-amino-N-ethyl-3-methyl-N-propan-2-ylbutanamide
CID 43265863
N-[(4-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpropanamide
CID 143072350
(2S)-2-amino-N-[(2-cyanophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 66568262
(2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N,3-dimethylbutanamide
CID 79013489
2-bromo-N,3-dimethyl-N-[(4-methylphenyl)methyl]butanamide
CID 43211718
(2S)-2-amino-N,3,3-trimethyl-N-[(4-methylphenyl)methyl]butanamide;hydrochloride
CID 119681885
(2S)-2-amino-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide
CID 66568238

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[(4-methylphenyl)methyl]-N-propan-2-ylbutanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[(4-methylphenyl)methyl]-N-propan-2-ylbutanamide (CID 66568264) is (2S)-2-amino-3-methyl-N-[(4-methylphenyl)methyl]-N-propan-2-ylbutanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[(4-methylphenyl)methyl]-N-propan-2-ylbutanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[(4-methylphenyl)methyl]-N-propan-2-ylbutanamide is Cc1ccc(CN(C(=O)[C@@H](N)C(C)C)C(C)C)cc1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[(4-methylphenyl)methyl]-N-propan-2-ylbutanamide?
The InChIKey is FNZYBFUFGYORBJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11(2)15(17)16(19)18(12(3)4)10-14-8-6-13(5)7-9-14/h6-9,11-12,15H,10,17H2,1-5H3/t15-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[(4-methylphenyl)methyl]-N-propan-2-ylbutanamide?
(2S)-2-amino-3-methyl-N-[(4-methylphenyl)methyl]-N-propan-2-ylbutanamide has a molecular weight of 262.40 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[(4-methylphenyl)methyl]-N-propan-2-ylbutanamide is sourced from PubChem (CID 66568264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).