N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]benzamide

C15H19N3O2 — CID 23648448

IUPACN-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]benzamide
SMILESCC(C)C[C@H](NC(=O)c1ccccc1)C(=O)NCC#N
InChIInChI=1S/C15H19N3O2/c1-11(2)10-13(15(20)17-9-8-16)18-14(19)12-6-4-3-5-7-12/h3-7,11,13H,9-10H2,1-2H3,(H,17,20)(H,18,19)/t13-/m0/s1
InChIKeyQCZGUQGVICOTKX-ZDUSSCGKSA-N
MW273.34 g/mol
LogP1.47
Rot. Bonds6

About N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]benzamide

N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]benzamide (PubChem CID 23648448) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]benzamide
PubChem CID23648448
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]benzamide
SMILESCC(C)C[C@H](NC(=O)c1ccccc1)C(=O)NCC#N
InChIInChI=1S/C15H19N3O2/c1-11(2)10-13(15(20)17-9-8-16)18-14(19)12-6-4-3-5-7-12/h3-7,11,13H,9-10H2,1-2H3,(H,17,20)(H,18,19)/t13-/m0/s1
InChIKeyQCZGUQGVICOTKX-ZDUSSCGKSA-N
XLogP1.47
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]benzamide?
The IUPAC name of N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]benzamide (CID 23648448) is N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]benzamide?
The canonical SMILES for N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]benzamide is CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)NCC#N.
What is the InChIKey of N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]benzamide?
The InChIKey is QCZGUQGVICOTKX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11(2)10-13(15(20)17-9-8-16)18-14(19)12-6-4-3-5-7-12/h3-7,11,13H,9-10H2,1-2H3,(H,17,20)(H,18,19)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]benzamide?
N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]benzamide has a molecular weight of 273.34 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 23648448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).