(2S)-2-amino-N-ethyl-3-methyl-N-[(3-methylphenyl)methyl]pentanamide

C16H26N2O — CID 61173742

IUPAC(2S)-2-amino-N-ethyl-3-methyl-N-[(3-methylphenyl)methyl]pentanamide
SMILESCCC(C)[C@H](N)C(=O)N(CC)Cc1cccc(C)c1
InChIInChI=1S/C16H26N2O/c1-5-13(4)15(17)16(19)18(6-2)11-14-9-7-8-12(3)10-14/h7-10,13,15H,5-6,11,17H2,1-4H3/t13?,15-/m0/s1
InChIKeyYYRWXKWIFKUXRB-WUJWULDRSA-N
MW262.40 g/mol
LogP2.72
Rot. Bonds6

About (2S)-2-amino-N-ethyl-3-methyl-N-[(3-methylphenyl)methyl]pentanamide

(2S)-2-amino-N-ethyl-3-methyl-N-[(3-methylphenyl)methyl]pentanamide (PubChem CID 61173742) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (2S)-2-amino-N-ethyl-3-methyl-N-[(3-methylphenyl)methyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-ethyl-3-methyl-N-[(3-methylphenyl)methyl]pentanamide
PubChem CID61173742
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(2S)-2-amino-N-ethyl-3-methyl-N-[(3-methylphenyl)methyl]pentanamide
SMILESCCC(C)[C@H](N)C(=O)N(CC)Cc1cccc(C)c1
InChIInChI=1S/C16H26N2O/c1-5-13(4)15(17)16(19)18(6-2)11-14-9-7-8-12(3)10-14/h7-10,13,15H,5-6,11,17H2,1-4H3/t13?,15-/m0/s1
InChIKeyYYRWXKWIFKUXRB-WUJWULDRSA-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 (2S)-2-amino-N-ethyl-3-methyl-N-[(3-methylphenyl)methyl]pentanamide 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-ethyl-N-[(3-fluorophenyl)methyl]-3-methylpentanamide
CID 61173559
2-amino-N-benzyl-N-ethyl-3-methylpentanamide;hydrochloride
CID 119674320
(2S)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-3-methylpentanamide
CID 61172861
(2S)-2-amino-N-ethyl-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
CID 66568463
(2S,3S)-2-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide
CID 61164685
(2S,3S)-2-amino-N-[(3-hydroxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61164196
(2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride
CID 119289151
(2R)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide
CID 78973383
3-amino-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 60939220
(2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylpentanamide
CID 61163352
2-(2-aminoethoxy)-N-ethyl-N-[(3-methylphenyl)methyl]acetamide
CID 79472813
3-amino-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 60939211

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-ethyl-3-methyl-N-[(3-methylphenyl)methyl]pentanamide?
The IUPAC name of (2S)-2-amino-N-ethyl-3-methyl-N-[(3-methylphenyl)methyl]pentanamide (CID 61173742) is (2S)-2-amino-N-ethyl-3-methyl-N-[(3-methylphenyl)methyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N-ethyl-3-methyl-N-[(3-methylphenyl)methyl]pentanamide?
The canonical SMILES for (2S)-2-amino-N-ethyl-3-methyl-N-[(3-methylphenyl)methyl]pentanamide is CCC(C)[C@H](N)C(=O)N(CC)Cc1cccc(C)c1.
What is the InChIKey of (2S)-2-amino-N-ethyl-3-methyl-N-[(3-methylphenyl)methyl]pentanamide?
The InChIKey is YYRWXKWIFKUXRB-WUJWULDRSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-13(4)15(17)16(19)18(6-2)11-14-9-7-8-12(3)10-14/h7-10,13,15H,5-6,11,17H2,1-4H3/t13?,15-/m0/s1.
What are the key properties of (2S)-2-amino-N-ethyl-3-methyl-N-[(3-methylphenyl)methyl]pentanamide?
(2S)-2-amino-N-ethyl-3-methyl-N-[(3-methylphenyl)methyl]pentanamide 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 (2S)-2-amino-N-ethyl-3-methyl-N-[(3-methylphenyl)methyl]pentanamide is sourced from PubChem (CID 61173742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).