5-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-4-methylpentanamide

C16H23N3O — CID 82011067

IUPAC5-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-4-methylpentanamide
SMILESCCN(Cc1ccccc1C#N)C(=O)CCC(C)CN
InChIInChI=1S/C16H23N3O/c1-3-19(16(20)9-8-13(2)10-17)12-15-7-5-4-6-14(15)11-18/h4-7,13H,3,8-10,12,17H2,1-2H3
InChIKeyKZGOLYZWLCYAGL-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.28
Rot. Bonds7

About 5-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-4-methylpentanamide

5-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-4-methylpentanamide (PubChem CID 82011067) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 5-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-4-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-4-methylpentanamide
PubChem CID82011067
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name5-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-4-methylpentanamide
SMILESCCN(Cc1ccccc1C#N)C(=O)CCC(C)CN
InChIInChI=1S/C16H23N3O/c1-3-19(16(20)9-8-13(2)10-17)12-15-7-5-4-6-14(15)11-18/h4-7,13H,3,8-10,12,17H2,1-2H3
InChIKeyKZGOLYZWLCYAGL-UHFFFAOYSA-N
XLogP2.28
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-4-methylpentanamide?
The IUPAC name of 5-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-4-methylpentanamide (CID 82011067) is 5-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-4-methylpentanamide.
What is the SMILES notation for 5-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-4-methylpentanamide?
The canonical SMILES for 5-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-4-methylpentanamide is CCN(Cc1ccccc1C#N)C(=O)CCC(C)CN.
What is the InChIKey of 5-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-4-methylpentanamide?
The InChIKey is KZGOLYZWLCYAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-19(16(20)9-8-13(2)10-17)12-15-7-5-4-6-14(15)11-18/h4-7,13H,3,8-10,12,17H2,1-2H3.
What are the key properties of 5-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-4-methylpentanamide?
5-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-4-methylpentanamide has a molecular weight of 273.38 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-4-methylpentanamide is sourced from PubChem (CID 82011067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).