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

C13H20N2O — CID 104897097

IUPAC(2S)-2-amino-N-pentan-2-yl-2-phenylacetamide
SMILESCCCC(C)NC(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C13H20N2O/c1-3-7-10(2)15-13(16)12(14)11-8-5-4-6-9-11/h4-6,8-10,12H,3,7,14H2,1-2H3,(H,15,16)/t10?,12-/m0/s1
InChIKeyVWQSMVZYQQZHHR-KFJBMODSSA-N
MW220.32 g/mol
LogP1.99
Rot. Bonds5

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

(2S)-2-amino-N-pentan-2-yl-2-phenylacetamide (PubChem CID 104897097) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (2S)-2-amino-N-pentan-2-yl-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-pentan-2-yl-2-phenylacetamide
PubChem CID104897097
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(2S)-2-amino-N-pentan-2-yl-2-phenylacetamide
SMILESCCCC(C)NC(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C13H20N2O/c1-3-7-10(2)15-13(16)12(14)11-8-5-4-6-9-11/h4-6,8-10,12H,3,7,14H2,1-2H3,(H,15,16)/t10?,12-/m0/s1
InChIKeyVWQSMVZYQQZHHR-KFJBMODSSA-N
XLogP1.99
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-octan-2-yl-2-phenylacetamide
CID 104897331
2-amino-N-(5-methylhexan-2-yl)-2-phenylacetamide
CID 43579340
2-amino-2-phenyl-N-(4-phenylbutan-2-yl)acetamide
CID 61254237
2-amino-N-[(2R)-1-hydroxypropan-2-yl]-2-phenylacetamide
CID 107218501
(2S)-2-[[(2S)-2-amino-2-phenylacetyl]amino]pentanoic acid
CID 103869746
5-[(2-amino-2-phenylacetyl)amino]hexanoic acid
CID 82845613
5-[[(2R)-2-amino-2-phenylacetyl]amino]hexanoic acid
CID 82847398
(2S)-2-amino-N-(4-hydroxypentan-2-yl)-2-phenylacetamide
CID 104898348
2-amino-2-phenyl-N-propan-2-ylacetamide;hydrochloride
CID 22262716
(2S)-2-amino-N-[1-(2-methylphenyl)propan-2-yl]-2-phenylacetamide
CID 104897382
N-pentan-2-yl-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 78948251
2-amino-N-(1-cyclopropylpropan-2-yl)-2-phenylacetamide;hydrochloride
CID 119324224

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-pentan-2-yl-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-pentan-2-yl-2-phenylacetamide (CID 104897097) is (2S)-2-amino-N-pentan-2-yl-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-pentan-2-yl-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-pentan-2-yl-2-phenylacetamide is CCCC(C)NC(=O)[C@@H](N)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-pentan-2-yl-2-phenylacetamide?
The InChIKey is VWQSMVZYQQZHHR-KFJBMODSSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-7-10(2)15-13(16)12(14)11-8-5-4-6-9-11/h4-6,8-10,12H,3,7,14H2,1-2H3,(H,15,16)/t10?,12-/m0/s1.
What are the key properties of (2S)-2-amino-N-pentan-2-yl-2-phenylacetamide?
(2S)-2-amino-N-pentan-2-yl-2-phenylacetamide has a molecular weight of 220.32 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-pentan-2-yl-2-phenylacetamide is sourced from PubChem (CID 104897097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).