(2S,3R)-2-(carbamoylamino)-3-methyl-N-[(4-methylphenyl)methyl]pentanamide

C15H23N3O2 — CID 2671676

IUPAC(2S,3R)-2-(carbamoylamino)-3-methyl-N-[(4-methylphenyl)methyl]pentanamide
SMILESCC[C@@H](C)[C@H](NC(N)=O)C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C15H23N3O2/c1-4-11(3)13(18-15(16)20)14(19)17-9-12-7-5-10(2)6-8-12/h5-8,11,13H,4,9H2,1-3H3,(H,17,19)(H3,16,18,20)/t11-,13+/m1/s1
InChIKeyVVQTUKUGYIRXDG-YPMHNXCESA-N
MW277.37 g/mol
LogP1.69
Rot. Bonds6

About (2S,3R)-2-(carbamoylamino)-3-methyl-N-[(4-methylphenyl)methyl]pentanamide

(2S,3R)-2-(carbamoylamino)-3-methyl-N-[(4-methylphenyl)methyl]pentanamide (PubChem CID 2671676) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (2S,3R)-2-(carbamoylamino)-3-methyl-N-[(4-methylphenyl)methyl]pentanamide.

Molecular Properties

Compound Name(2S,3R)-2-(carbamoylamino)-3-methyl-N-[(4-methylphenyl)methyl]pentanamide
PubChem CID2671676
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(2S,3R)-2-(carbamoylamino)-3-methyl-N-[(4-methylphenyl)methyl]pentanamide
SMILESCC[C@@H](C)[C@H](NC(N)=O)C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C15H23N3O2/c1-4-11(3)13(18-15(16)20)14(19)17-9-12-7-5-10(2)6-8-12/h5-8,11,13H,4,9H2,1-3H3,(H,17,19)(H3,16,18,20)/t11-,13+/m1/s1
InChIKeyVVQTUKUGYIRXDG-YPMHNXCESA-N
XLogP1.69
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze (2S,3R)-2-(carbamoylamino)-3-methyl-N-[(4-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,3R)-2-(carbamoylamino)-N-[(3,4-dimethoxyphenyl)methyl]-3-methylpentanamide
CID 2126900
2-(carbamoylamino)-N-[(3-chlorophenyl)methyl]-3-methylpentanamide
CID 3957835
(2S,3S)-2-(carbamoylamino)-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide
CID 8589059
2-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-3-methylpentanamide
CID 18159420
[(2S,3S)-1-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea
CID 8942230
2-(carbamoylamino)-N-[4-(hydroxymethyl)phenyl]-3-methylpentanamide
CID 64792800
(2R,3R)-2-(carbamoylamino)-N-[(2-methoxyphenyl)methyl]-3-methylpentanamide
CID 2713290
2-(carbamoylamino)-N-[(4-fluorophenyl)methyl]-3-methylbutanamide
CID 3934919
(2S,3S)-2-(carbamoylamino)-3-methyl-N-propylpentanamide
CID 95262479
(2S,3S)-3-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanoate
CID 7680728
2-(carbamoylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylpentanamide
CID 61221427
(2S,3R)-2-(carbamoylamino)-3-methyl-N-(3-phenylpropyl)pentanamide
CID 2562392

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(carbamoylamino)-3-methyl-N-[(4-methylphenyl)methyl]pentanamide?
The IUPAC name of (2S,3R)-2-(carbamoylamino)-3-methyl-N-[(4-methylphenyl)methyl]pentanamide (CID 2671676) is (2S,3R)-2-(carbamoylamino)-3-methyl-N-[(4-methylphenyl)methyl]pentanamide.
What is the SMILES notation for (2S,3R)-2-(carbamoylamino)-3-methyl-N-[(4-methylphenyl)methyl]pentanamide?
The canonical SMILES for (2S,3R)-2-(carbamoylamino)-3-methyl-N-[(4-methylphenyl)methyl]pentanamide is CC[C@@H](C)[C@H](NC(N)=O)C(=O)NCc1ccc(C)cc1.
What is the InChIKey of (2S,3R)-2-(carbamoylamino)-3-methyl-N-[(4-methylphenyl)methyl]pentanamide?
The InChIKey is VVQTUKUGYIRXDG-YPMHNXCESA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-11(3)13(18-15(16)20)14(19)17-9-12-7-5-10(2)6-8-12/h5-8,11,13H,4,9H2,1-3H3,(H,17,19)(H3,16,18,20)/t11-,13+/m1/s1.
What are the key properties of (2S,3R)-2-(carbamoylamino)-3-methyl-N-[(4-methylphenyl)methyl]pentanamide?
(2S,3R)-2-(carbamoylamino)-3-methyl-N-[(4-methylphenyl)methyl]pentanamide has a molecular weight of 277.37 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(carbamoylamino)-3-methyl-N-[(4-methylphenyl)methyl]pentanamide is sourced from PubChem (CID 2671676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).