(2S,3S)-2-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide

C15H24N2O2 — CID 61164685

IUPAC(2S,3S)-2-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C15H24N2O2/c1-3-12(2)14(16)15(19)17(9-10-18)11-13-7-5-4-6-8-13/h4-8,12,14,18H,3,9-11,16H2,1-2H3/t12-,14-/m0/s1
InChIKeyKMRNALFOSZGVEF-JSGCOSHPSA-N
MW264.37 g/mol
LogP1.38
Rot. Bonds7

About (2S,3S)-2-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide

(2S,3S)-2-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide (PubChem CID 61164685) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide
PubChem CID61164685
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(2S,3S)-2-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C15H24N2O2/c1-3-12(2)14(16)15(19)17(9-10-18)11-13-7-5-4-6-8-13/h4-8,12,14,18H,3,9-11,16H2,1-2H3/t12-,14-/m0/s1
InChIKeyKMRNALFOSZGVEF-JSGCOSHPSA-N
XLogP1.38
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-benzyl-N-ethyl-3-methylpentanamide;hydrochloride
CID 119674320
N-benzyl-2-carbamothioyl-N-(2-hydroxyethyl)butanamide
CID 55040766
N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide
CID 114875389
(2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)pentanamide
CID 61172289
N-benzyl-2,2-difluoro-N-(2-hydroxyethyl)acetamide
CID 103513904
N-benzyl-N-(2-hydroxyethyl)-2-methylsulfonylpropanamide
CID 115582885
(2S,3S)-2-amino-N-[(4-cyanophenyl)methyl]-3-methyl-N-propylpentanamide
CID 61163539
(2S,3S)-2-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(pyridin-3-ylmethyl)pentanamide
CID 61162699
(2S)-2-amino-N-ethyl-3-methyl-N-[(3-methylphenyl)methyl]pentanamide
CID 61173742
(2S,3S)-2-amino-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-3-methylpentanamide;dihydrochloride
CID 154918160
(2S)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-3-methylpentanamide
CID 61172861
2-acetamido-N-benzyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 60654045

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide (CID 61164685) is (2S,3S)-2-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide is CC[C@H](C)[C@H](N)C(=O)N(CCO)Cc1ccccc1.
What is the InChIKey of (2S,3S)-2-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide?
The InChIKey is KMRNALFOSZGVEF-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-12(2)14(16)15(19)17(9-10-18)11-13-7-5-4-6-8-13/h4-8,12,14,18H,3,9-11,16H2,1-2H3/t12-,14-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide?
(2S,3S)-2-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide has a molecular weight of 264.37 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide is sourced from PubChem (CID 61164685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).