(2R)-2-amino-N-(1-cyanopropan-2-yl)-N-methyl-2-phenylacetamide

C13H17N3O — CID 55174347

IUPAC(2R)-2-amino-N-(1-cyanopropan-2-yl)-N-methyl-2-phenylacetamide
SMILESCC(CC#N)N(C)C(=O)[C@H](N)c1ccccc1
InChIInChI=1S/C13H17N3O/c1-10(8-9-14)16(2)13(17)12(15)11-6-4-3-5-7-11/h3-7,10,12H,8,15H2,1-2H3/t10?,12-/m1/s1
InChIKeyVPCRTPYFVLCKCJ-TVKKRMFBSA-N
MW231.30 g/mol
LogP1.45
Rot. Bonds4

About (2R)-2-amino-N-(1-cyanopropan-2-yl)-N-methyl-2-phenylacetamide

(2R)-2-amino-N-(1-cyanopropan-2-yl)-N-methyl-2-phenylacetamide (PubChem CID 55174347) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is (2R)-2-amino-N-(1-cyanopropan-2-yl)-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(1-cyanopropan-2-yl)-N-methyl-2-phenylacetamide
PubChem CID55174347
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name(2R)-2-amino-N-(1-cyanopropan-2-yl)-N-methyl-2-phenylacetamide
SMILESCC(CC#N)N(C)C(=O)[C@H](N)c1ccccc1
InChIInChI=1S/C13H17N3O/c1-10(8-9-14)16(2)13(17)12(15)11-6-4-3-5-7-11/h3-7,10,12H,8,15H2,1-2H3/t10?,12-/m1/s1
InChIKeyVPCRTPYFVLCKCJ-TVKKRMFBSA-N
XLogP1.45
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanopropan-2-yl)-2-hydroxy-N-methyl-2-phenylacetamide
CID 103687130
(2S)-2-amino-N-methyl-N-pentan-3-yl-2-phenylacetamide
CID 93248514
2-amino-N-methyl-2-phenyl-N-propan-2-ylacetamide;hydrochloride
CID 75511591
N-[(2S)-1-cyanopropan-2-yl]-N,3-dimethyl-3-phenylbutanamide
CID 95329458
2-(2-aminophenyl)-N-(1-cyanopropan-2-yl)-N-methylacetamide
CID 63222105
(2R)-2-amino-N-methyl-2-phenyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 79494338
1-(1-cyanopropan-2-yl)-1-methyl-3-phenylurea
CID 63225008
phenyl N-(1-cyanopropan-2-yl)-N-methylcarbamate
CID 63225006
(2S)-2-amino-N,N-dimethyl-2-phenylacetamide
CID 11263835
N-(1-cyanopropan-2-yl)-N-methyl-2-(2-methylphenyl)acetamide
CID 63224539
(2R)-2-amino-N-ethyl-2-phenyl-N-propan-2-ylacetamide
CID 61156565
(2S)-2-amino-N-(2-hydroxypropyl)-N-methyl-2-phenylacetamide
CID 104897800

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(1-cyanopropan-2-yl)-N-methyl-2-phenylacetamide?
The IUPAC name of (2R)-2-amino-N-(1-cyanopropan-2-yl)-N-methyl-2-phenylacetamide (CID 55174347) is (2R)-2-amino-N-(1-cyanopropan-2-yl)-N-methyl-2-phenylacetamide.
What is the SMILES notation for (2R)-2-amino-N-(1-cyanopropan-2-yl)-N-methyl-2-phenylacetamide?
The canonical SMILES for (2R)-2-amino-N-(1-cyanopropan-2-yl)-N-methyl-2-phenylacetamide is CC(CC#N)N(C)C(=O)[C@H](N)c1ccccc1.
What is the InChIKey of (2R)-2-amino-N-(1-cyanopropan-2-yl)-N-methyl-2-phenylacetamide?
The InChIKey is VPCRTPYFVLCKCJ-TVKKRMFBSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10(8-9-14)16(2)13(17)12(15)11-6-4-3-5-7-11/h3-7,10,12H,8,15H2,1-2H3/t10?,12-/m1/s1.
What are the key properties of (2R)-2-amino-N-(1-cyanopropan-2-yl)-N-methyl-2-phenylacetamide?
(2R)-2-amino-N-(1-cyanopropan-2-yl)-N-methyl-2-phenylacetamide has a molecular weight of 231.30 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(1-cyanopropan-2-yl)-N-methyl-2-phenylacetamide is sourced from PubChem (CID 55174347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).