(2S)-2-amino-N-(4-butan-2-ylphenyl)-2-phenylacetamide

C18H22N2O — CID 104897241

IUPAC(2S)-2-amino-N-(4-butan-2-ylphenyl)-2-phenylacetamide
SMILESCCC(C)c1ccc(NC(=O)[C@@H](N)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O/c1-3-13(2)14-9-11-16(12-10-14)20-18(21)17(19)15-7-5-4-6-8-15/h4-13,17H,3,19H2,1-2H3,(H,20,21)/t13?,17-/m0/s1
InChIKeyJYMKVXZRZXVEPS-RUINGEJQSA-N
MW282.39 g/mol
LogP3.84
Rot. Bonds5

About (2S)-2-amino-N-(4-butan-2-ylphenyl)-2-phenylacetamide

(2S)-2-amino-N-(4-butan-2-ylphenyl)-2-phenylacetamide (PubChem CID 104897241) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-butan-2-ylphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-butan-2-ylphenyl)-2-phenylacetamide
PubChem CID104897241
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name(2S)-2-amino-N-(4-butan-2-ylphenyl)-2-phenylacetamide
SMILESCCC(C)c1ccc(NC(=O)[C@@H](N)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O/c1-3-13(2)14-9-11-16(12-10-14)20-18(21)17(19)15-7-5-4-6-8-15/h4-13,17H,3,19H2,1-2H3,(H,20,21)/t13?,17-/m0/s1
InChIKeyJYMKVXZRZXVEPS-RUINGEJQSA-N
XLogP3.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(4-butan-2-ylphenyl)-2-phenylacetamide
CID 43702131
(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylbutanamide
CID 7029038
2-amino-N-(4-butan-2-ylphenyl)-3-methylpentanamide
CID 43702138
(2R)-N-(4-acetylphenyl)-2-amino-2-phenylacetamide
CID 61259858
2-amino-N-(4-chlorophenyl)-2-phenylacetamide
CID 24702199
4-benzamido-N-(4-butan-2-ylphenyl)benzamide
CID 17153198
4-[[(2S)-2-amino-2-phenylacetyl]amino]benzamide
CID 22691729
(2S)-2-amino-N-[4-(2-aminoethyl)phenyl]-2-phenylacetamide
CID 67245807
(2R)-2-amino-N-(4-methylsulfonylphenyl)-2-phenylacetamide
CID 61148899
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7834192
N-(4-butan-2-ylphenyl)-2,3-dihydroxy-N'-methylbutanediamide
CID 23585233
2-amino-N-(4-butan-2-ylphenyl)acetamide
CID 43218233

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-butan-2-ylphenyl)-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-(4-butan-2-ylphenyl)-2-phenylacetamide (CID 104897241) is (2S)-2-amino-N-(4-butan-2-ylphenyl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-(4-butan-2-ylphenyl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-(4-butan-2-ylphenyl)-2-phenylacetamide is CCC(C)c1ccc(NC(=O)[C@@H](N)c2ccccc2)cc1.
What is the InChIKey of (2S)-2-amino-N-(4-butan-2-ylphenyl)-2-phenylacetamide?
The InChIKey is JYMKVXZRZXVEPS-RUINGEJQSA-N. The full InChI is InChI=1S/C18H22N2O/c1-3-13(2)14-9-11-16(12-10-14)20-18(21)17(19)15-7-5-4-6-8-15/h4-13,17H,3,19H2,1-2H3,(H,20,21)/t13?,17-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4-butan-2-ylphenyl)-2-phenylacetamide?
(2S)-2-amino-N-(4-butan-2-ylphenyl)-2-phenylacetamide has a molecular weight of 282.39 g/mol, XLogP of 3.84, 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-(4-butan-2-ylphenyl)-2-phenylacetamide is sourced from PubChem (CID 104897241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).