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

C16H26N2O — CID 104897632

IUPAC(2S)-2-amino-N-(2-ethylhexyl)-2-phenylacetamide
SMILESCCCCC(CC)CNC(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-3-5-9-13(4-2)12-18-16(19)15(17)14-10-7-6-8-11-14/h6-8,10-11,13,15H,3-5,9,12,17H2,1-2H3,(H,18,19)/t13?,15-/m0/s1
InChIKeyHOCOUFJDSRCKAD-WUJWULDRSA-N
MW262.40 g/mol
LogP3.02
Rot. Bonds8

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

(2S)-2-amino-N-(2-ethylhexyl)-2-phenylacetamide (PubChem CID 104897632) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-ethylhexyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-ethylhexyl)-2-phenylacetamide
PubChem CID104897632
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(2S)-2-amino-N-(2-ethylhexyl)-2-phenylacetamide
SMILESCCCCC(CC)CNC(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-3-5-9-13(4-2)12-18-16(19)15(17)14-10-7-6-8-11-14/h6-8,10-11,13,15H,3-5,9,12,17H2,1-2H3,(H,18,19)/t13?,15-/m0/s1
InChIKeyHOCOUFJDSRCKAD-WUJWULDRSA-N
XLogP3.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(2-ethylhexyl)-2-phenylpropanamide
CID 62878370
(2R)-2-amino-N-[2-(2-hydroxyethyl)pentyl]-2-phenylacetamide
CID 106116650
3-[[[(2S)-2-amino-2-phenylacetyl]amino]methyl]pentanoic acid
CID 103870660
(2S)-2-amino-N-(2-hydroxypentyl)-2-phenylacetamide
CID 104898437
(2S)-2-amino-N-decyl-2-phenylacetamide
CID 104898142
2-amino-N-(2-methylbutyl)-2-phenylacetamide
CID 62693520
1-(2-ethylhexyl)-3-(2-hydroxy-2-phenylethyl)urea
CID 55739531
(2R)-N-[(2S)-2-ethylhexyl]-2-phenoxybutanamide
CID 2165377
2-amino-N-ethyl-2-phenylacetamide
CID 22262703
(2R)-2-amino-N-[(2S)-2-hydroxypropyl]-2-phenylacetamide
CID 93083385
(2R)-2-amino-N-[2-(dimethylamino)propyl]-2-phenylacetamide
CID 61156707
N-(2-ethylhexyl)-N'-phenyloxamide
CID 3102544

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-ethylhexyl)-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-(2-ethylhexyl)-2-phenylacetamide (CID 104897632) is (2S)-2-amino-N-(2-ethylhexyl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-(2-ethylhexyl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-(2-ethylhexyl)-2-phenylacetamide is CCCCC(CC)CNC(=O)[C@@H](N)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(2-ethylhexyl)-2-phenylacetamide?
The InChIKey is HOCOUFJDSRCKAD-WUJWULDRSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-5-9-13(4-2)12-18-16(19)15(17)14-10-7-6-8-11-14/h6-8,10-11,13,15H,3-5,9,12,17H2,1-2H3,(H,18,19)/t13?,15-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-ethylhexyl)-2-phenylacetamide?
(2S)-2-amino-N-(2-ethylhexyl)-2-phenylacetamide has a molecular weight of 262.40 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-ethylhexyl)-2-phenylacetamide is sourced from PubChem (CID 104897632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).