(2S)-2-amino-N-[(3-cyanophenyl)methyl]-N-methyl-2-phenylacetamide

C17H17N3O — CID 104897437

IUPAC(2S)-2-amino-N-[(3-cyanophenyl)methyl]-N-methyl-2-phenylacetamide
SMILESCN(Cc1cccc(C#N)c1)C(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C17H17N3O/c1-20(12-14-7-5-6-13(10-14)11-18)17(21)16(19)15-8-3-2-4-9-15/h2-10,16H,12,19H2,1H3/t16-/m0/s1
InChIKeyOWXKIPCGOVMODH-INIZCTEOSA-N
MW279.34 g/mol
LogP2.22
Rot. Bonds4

About (2S)-2-amino-N-[(3-cyanophenyl)methyl]-N-methyl-2-phenylacetamide

(2S)-2-amino-N-[(3-cyanophenyl)methyl]-N-methyl-2-phenylacetamide (PubChem CID 104897437) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is (2S)-2-amino-N-[(3-cyanophenyl)methyl]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(3-cyanophenyl)methyl]-N-methyl-2-phenylacetamide
PubChem CID104897437
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name(2S)-2-amino-N-[(3-cyanophenyl)methyl]-N-methyl-2-phenylacetamide
SMILESCN(Cc1cccc(C#N)c1)C(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C17H17N3O/c1-20(12-14-7-5-6-13(10-14)11-18)17(21)16(19)15-8-3-2-4-9-15/h2-10,16H,12,19H2,1H3/t16-/m0/s1
InChIKeyOWXKIPCGOVMODH-INIZCTEOSA-N
XLogP2.22
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-[(3-cyanophenyl)methyl-methylamino]-4-oxobutanoic acid
CID 64895922
3-[(3-cyanophenyl)methyl-methylamino]-2-methyl-3-oxopropanoic acid
CID 114897529
(2S)-2-amino-N-[(3-cyanophenyl)methyl]-N-methylpentanamide
CID 93370152
2-amino-N-[(3-cyanophenyl)methyl]-N-methylhexanamide
CID 54870529
N-[(3-cyanophenyl)methyl]-N-methylbenzamide
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2-amino-N-methyl-2-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]acetamide;hydrochloride
CID 86784454
2-amino-N-[(3-cyanophenyl)methyl]-5-methoxy-N-methylpentanamide
CID 81083572
2-chloro-N-[(3-cyanophenyl)methyl]-N-methylacetamide
CID 60949916
2-(aminomethyl)-N-[(3-cyanophenyl)methyl]-N-methylpentanamide
CID 65230274
1-[(3-cyanophenyl)methyl]-1,3,3-trimethylurea
CID 112726627
N-[(3-cyanophenyl)methyl]-N-methyl-2-(4-phenylphenoxy)propanamide
CID 55609402
N-[(3-cyanophenyl)methyl]-2-(2-hydroxyphenyl)-N-methylacetamide
CID 78916774

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(3-cyanophenyl)methyl]-N-methyl-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-[(3-cyanophenyl)methyl]-N-methyl-2-phenylacetamide (CID 104897437) is (2S)-2-amino-N-[(3-cyanophenyl)methyl]-N-methyl-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-[(3-cyanophenyl)methyl]-N-methyl-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-[(3-cyanophenyl)methyl]-N-methyl-2-phenylacetamide is CN(Cc1cccc(C#N)c1)C(=O)[C@@H](N)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[(3-cyanophenyl)methyl]-N-methyl-2-phenylacetamide?
The InChIKey is OWXKIPCGOVMODH-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17N3O/c1-20(12-14-7-5-6-13(10-14)11-18)17(21)16(19)15-8-3-2-4-9-15/h2-10,16H,12,19H2,1H3/t16-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(3-cyanophenyl)methyl]-N-methyl-2-phenylacetamide?
(2S)-2-amino-N-[(3-cyanophenyl)methyl]-N-methyl-2-phenylacetamide has a molecular weight of 279.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(3-cyanophenyl)methyl]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 104897437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).