(2S)-2-amino-N-(2-hydroxypentyl)-2-phenylacetamide

C13H20N2O2 — CID 104898437

IUPAC(2S)-2-amino-N-(2-hydroxypentyl)-2-phenylacetamide
SMILESCCCC(O)CNC(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C13H20N2O2/c1-2-6-11(16)9-15-13(17)12(14)10-7-4-3-5-8-10/h3-5,7-8,11-12,16H,2,6,9,14H2,1H3,(H,15,17)/t11?,12-/m0/s1
InChIKeyQBRKDLFRNAJMPB-KIYNQFGBSA-N
MW236.32 g/mol
LogP0.96
Rot. Bonds6

About (2S)-2-amino-N-(2-hydroxypentyl)-2-phenylacetamide

(2S)-2-amino-N-(2-hydroxypentyl)-2-phenylacetamide (PubChem CID 104898437) has the molecular formula C13H20N2O2 and a molecular weight of 236.32 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-hydroxypentyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-hydroxypentyl)-2-phenylacetamide
PubChem CID104898437
Molecular FormulaC13H20N2O2
Molecular Weight236.32 g/mol
Exact Mass236.15
IUPAC Name(2S)-2-amino-N-(2-hydroxypentyl)-2-phenylacetamide
SMILESCCCC(O)CNC(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C13H20N2O2/c1-2-6-11(16)9-15-13(17)12(14)10-7-4-3-5-8-10/h3-5,7-8,11-12,16H,2,6,9,14H2,1H3,(H,15,17)/t11?,12-/m0/s1
InChIKeyQBRKDLFRNAJMPB-KIYNQFGBSA-N
XLogP0.96
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(2,3-dihydroxypropyl)-2-phenylacetamide
CID 104898061
(2R)-2-amino-N-[2-(2-hydroxyethyl)pentyl]-2-phenylacetamide
CID 106116650
(2R)-2-amino-N-[(2S)-2-hydroxypropyl]-2-phenylacetamide
CID 93083385
(2R)-2-amino-N-(2-hydroxypentyl)-3-phenylpropanamide
CID 103796801
2-amino-N-ethyl-2-phenylacetamide
CID 22262703
(2S)-2-amino-N-(2-ethylhexyl)-2-phenylacetamide
CID 104897632
2-amino-N-(2-methylbutyl)-2-phenylacetamide
CID 62693520
(2R)-2-amino-N-[2-(dimethylamino)propyl]-2-phenylacetamide
CID 61156707
(2S)-2-amino-N-pentan-2-yl-2-phenylacetamide
CID 104897097
2-amino-N-(2,2-diethoxyethyl)-2-phenylacetamide
CID 13390917
2-amino-N-[2-(diethylamino)-2-phenylethyl]-2-phenylacetamide
CID 119399166
4-[[(2R)-2-amino-2-phenylacetyl]amino]-2-hydroxybutanoic acid
CID 114006849

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-hydroxypentyl)-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-(2-hydroxypentyl)-2-phenylacetamide (CID 104898437) is (2S)-2-amino-N-(2-hydroxypentyl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-(2-hydroxypentyl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-(2-hydroxypentyl)-2-phenylacetamide is CCCC(O)CNC(=O)[C@@H](N)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(2-hydroxypentyl)-2-phenylacetamide?
The InChIKey is QBRKDLFRNAJMPB-KIYNQFGBSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-6-11(16)9-15-13(17)12(14)10-7-4-3-5-8-10/h3-5,7-8,11-12,16H,2,6,9,14H2,1H3,(H,15,17)/t11?,12-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-hydroxypentyl)-2-phenylacetamide?
(2S)-2-amino-N-(2-hydroxypentyl)-2-phenylacetamide has a molecular weight of 236.32 g/mol, XLogP of 0.96, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-hydroxypentyl)-2-phenylacetamide is sourced from PubChem (CID 104898437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).