(2S)-2-amino-N-octan-2-yl-2-phenylacetamide

C16H26N2O — CID 104897331

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

About (2S)-2-amino-N-octan-2-yl-2-phenylacetamide

(2S)-2-amino-N-octan-2-yl-2-phenylacetamide (PubChem CID 104897331) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (2S)-2-amino-N-octan-2-yl-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-octan-2-yl-2-phenylacetamide
PubChem CID104897331
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(2S)-2-amino-N-octan-2-yl-2-phenylacetamide
SMILESCCCCCCC(C)NC(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-3-4-5-7-10-13(2)18-16(19)15(17)14-11-8-6-9-12-14/h6,8-9,11-13,15H,3-5,7,10,17H2,1-2H3,(H,18,19)/t13?,15-/m0/s1
InChIKeyWPYKBIUXAAWZMC-WUJWULDRSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-pentan-2-yl-2-phenylacetamide
CID 104897097
5-[(2-amino-2-phenylacetyl)amino]hexanoic acid
CID 82845613
5-[[(2R)-2-amino-2-phenylacetyl]amino]hexanoic acid
CID 82847398
2-amino-N-(5-methylhexan-2-yl)-2-phenylacetamide
CID 43579340
2-chloro-N-heptan-2-yl-2-phenylacetamide
CID 43578893
(2S)-2-amino-N-decyl-2-phenylacetamide
CID 104898142
2-amino-2-phenyl-N-(4-phenylbutan-2-yl)acetamide
CID 61254237
2-amino-N-octan-2-yl-3-phenylpropanamide
CID 43711429
(2R)-2-amino-N-octan-2-yl-3-phenylpropanamide
CID 78985477
4-amino-N-octan-2-yl-4-phenylbutanamide
CID 63323854
2-amino-N-[(2R)-1-hydroxypropan-2-yl]-2-phenylacetamide
CID 107218501
(2S)-2-amino-N-(4-hydroxypentan-2-yl)-2-phenylacetamide
CID 104898348

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-octan-2-yl-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-octan-2-yl-2-phenylacetamide (CID 104897331) is (2S)-2-amino-N-octan-2-yl-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-octan-2-yl-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-octan-2-yl-2-phenylacetamide is CCCCCCC(C)NC(=O)[C@@H](N)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-octan-2-yl-2-phenylacetamide?
The InChIKey is WPYKBIUXAAWZMC-WUJWULDRSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-4-5-7-10-13(2)18-16(19)15(17)14-11-8-6-9-12-14/h6,8-9,11-13,15H,3-5,7,10,17H2,1-2H3,(H,18,19)/t13?,15-/m0/s1.
What are the key properties of (2S)-2-amino-N-octan-2-yl-2-phenylacetamide?
(2S)-2-amino-N-octan-2-yl-2-phenylacetamide has a molecular weight of 262.40 g/mol, XLogP of 3.16, 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-octan-2-yl-2-phenylacetamide is sourced from PubChem (CID 104897331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).