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

C14H19N3O — CID 93370152

IUPAC(2S)-2-amino-N-[(3-cyanophenyl)methyl]-N-methylpentanamide
SMILESCCC[C@H](N)C(=O)N(C)Cc1cccc(C#N)c1
InChIInChI=1S/C14H19N3O/c1-3-5-13(16)14(18)17(2)10-12-7-4-6-11(8-12)9-15/h4,6-8,13H,3,5,10,16H2,1-2H3/t13-/m0/s1
InChIKeyDHGGLZZKQHOCAZ-ZDUSSCGKSA-N
MW245.33 g/mol
LogP1.64
Rot. Bonds5

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

(2S)-2-amino-N-[(3-cyanophenyl)methyl]-N-methylpentanamide (PubChem CID 93370152) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (2S)-2-amino-N-[(3-cyanophenyl)methyl]-N-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(3-cyanophenyl)methyl]-N-methylpentanamide
PubChem CID93370152
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(2S)-2-amino-N-[(3-cyanophenyl)methyl]-N-methylpentanamide
SMILESCCC[C@H](N)C(=O)N(C)Cc1cccc(C#N)c1
InChIInChI=1S/C14H19N3O/c1-3-5-13(16)14(18)17(2)10-12-7-4-6-11(8-12)9-15/h4,6-8,13H,3,5,10,16H2,1-2H3/t13-/m0/s1
InChIKeyDHGGLZZKQHOCAZ-ZDUSSCGKSA-N
XLogP1.64
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(3-cyanophenyl)methyl]-N-methylhexanamide
CID 54870529
3-amino-4-[(3-cyanophenyl)methyl-methylamino]-4-oxobutanoic acid
CID 64895922
2-amino-N-[(3-cyanophenyl)methyl]-5-methoxy-N-methylpentanamide
CID 81083572
2-(aminomethyl)-N-[(3-cyanophenyl)methyl]-N-methylpentanamide
CID 65230274
(2S)-2-amino-N-[(3-cyanophenyl)methyl]-N-methyl-2-phenylacetamide
CID 104897437
(2S)-2-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpentanamide
CID 93371369
(2S)-2-amino-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide
CID 93367197
3-[(3-cyanophenyl)methyl-methylamino]-2-methyl-3-oxopropanoic acid
CID 114897529
1-[(3-cyanophenyl)methyl]-1,3,3-trimethylurea
CID 112726627
methyl 2-[(3-cyanophenyl)methyl-methylamino]-2-oxoacetate
CID 112617191
(2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methylhexanamide
CID 103830963
2-chloro-N-[(3-cyanophenyl)methyl]-N-methylacetamide
CID 60949916

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(3-cyanophenyl)methyl]-N-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[(3-cyanophenyl)methyl]-N-methylpentanamide (CID 93370152) is (2S)-2-amino-N-[(3-cyanophenyl)methyl]-N-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(3-cyanophenyl)methyl]-N-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[(3-cyanophenyl)methyl]-N-methylpentanamide is CCC[C@H](N)C(=O)N(C)Cc1cccc(C#N)c1.
What is the InChIKey of (2S)-2-amino-N-[(3-cyanophenyl)methyl]-N-methylpentanamide?
The InChIKey is DHGGLZZKQHOCAZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-5-13(16)14(18)17(2)10-12-7-4-6-11(8-12)9-15/h4,6-8,13H,3,5,10,16H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(3-cyanophenyl)methyl]-N-methylpentanamide?
(2S)-2-amino-N-[(3-cyanophenyl)methyl]-N-methylpentanamide has a molecular weight of 245.33 g/mol, XLogP of 1.64, 5 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-methylpentanamide is sourced from PubChem (CID 93370152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).