(2S)-2-amino-N-(2-methyl-6-propan-2-ylphenyl)-2-phenylacetamide

C18H22N2O — CID 22691784

IUPAC(2S)-2-amino-N-(2-methyl-6-propan-2-ylphenyl)-2-phenylacetamide
SMILESCc1cccc(C(C)C)c1NC(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C18H22N2O/c1-12(2)15-11-7-8-13(3)17(15)20-18(21)16(19)14-9-5-4-6-10-14/h4-12,16H,19H2,1-3H3,(H,20,21)/t16-/m0/s1
InChIKeyXKXOFNQUCFGKAC-INIZCTEOSA-N
MW282.39 g/mol
LogP3.76
Rot. Bonds4

About (2S)-2-amino-N-(2-methyl-6-propan-2-ylphenyl)-2-phenylacetamide

(2S)-2-amino-N-(2-methyl-6-propan-2-ylphenyl)-2-phenylacetamide (PubChem CID 22691784) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-methyl-6-propan-2-ylphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-methyl-6-propan-2-ylphenyl)-2-phenylacetamide
PubChem CID22691784
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name(2S)-2-amino-N-(2-methyl-6-propan-2-ylphenyl)-2-phenylacetamide
SMILESCc1cccc(C(C)C)c1NC(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C18H22N2O/c1-12(2)15-11-7-8-13(3)17(15)20-18(21)16(19)14-9-5-4-6-10-14/h4-12,16H,19H2,1-3H3,(H,20,21)/t16-/m0/s1
InChIKeyXKXOFNQUCFGKAC-INIZCTEOSA-N
XLogP3.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(2-ethyl-6-methylphenyl)-2-phenylacetamide
CID 61148140
2-amino-N-(2-methyl-6-propan-2-ylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289593
2-chloro-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 3859248
4-amino-5-(2-methyl-6-propan-2-ylanilino)-5-oxopentanoic acid
CID 64895201
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
N-(2-methyl-6-propan-2-ylphenyl)-3-phenylbutanamide
CID 4881413
2-amino-N-(2,3-dimethylphenyl)-2-phenylacetamide
CID 24694954
(2S)-2-amino-N-(2-methyl-6-propan-2-ylphenyl)hexanamide
CID 103830899
3-chloro-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 62727710
(2S)-N-(2-methyl-6-propan-2-ylphenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 38017144
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7228079
5-amino-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)pentanamide
CID 112517030

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-methyl-6-propan-2-ylphenyl)-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-(2-methyl-6-propan-2-ylphenyl)-2-phenylacetamide (CID 22691784) is (2S)-2-amino-N-(2-methyl-6-propan-2-ylphenyl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-(2-methyl-6-propan-2-ylphenyl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-(2-methyl-6-propan-2-ylphenyl)-2-phenylacetamide is Cc1cccc(C(C)C)c1NC(=O)[C@@H](N)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(2-methyl-6-propan-2-ylphenyl)-2-phenylacetamide?
The InChIKey is XKXOFNQUCFGKAC-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N2O/c1-12(2)15-11-7-8-13(3)17(15)20-18(21)16(19)14-9-5-4-6-10-14/h4-12,16H,19H2,1-3H3,(H,20,21)/t16-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-methyl-6-propan-2-ylphenyl)-2-phenylacetamide?
(2S)-2-amino-N-(2-methyl-6-propan-2-ylphenyl)-2-phenylacetamide has a molecular weight of 282.39 g/mol, XLogP of 3.76, 4 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-methyl-6-propan-2-ylphenyl)-2-phenylacetamide is sourced from PubChem (CID 22691784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).