N-[(2S)-1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]benzamide

C18H17N3O2 — CID 11702265

IUPACN-[(2S)-1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESN#CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C18H17N3O2/c19-11-12-20-18(23)16(13-14-7-3-1-4-8-14)21-17(22)15-9-5-2-6-10-15/h1-10,16H,12-13H2,(H,20,23)(H,21,22)/t16-/m0/s1
InChIKeyWEIUVZVWLANUJJ-INIZCTEOSA-N
MW307.35 g/mol
LogP1.67
Rot. Bonds6

About N-[(2S)-1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]benzamide

N-[(2S)-1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 11702265) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[(2S)-1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
PubChem CID11702265
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-[(2S)-1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESN#CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C18H17N3O2/c19-11-12-20-18(23)16(13-14-7-3-1-4-8-14)21-17(22)15-9-5-2-6-10-15/h1-10,16H,12-13H2,(H,20,23)(H,21,22)/t16-/m0/s1
InChIKeyWEIUVZVWLANUJJ-INIZCTEOSA-N
XLogP1.67
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2S)-1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]benzamide?
The IUPAC name of N-[(2S)-1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]benzamide (CID 11702265) is N-[(2S)-1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for N-[(2S)-1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]benzamide is N#CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(2S)-1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]benzamide?
The InChIKey is WEIUVZVWLANUJJ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H17N3O2/c19-11-12-20-18(23)16(13-14-7-3-1-4-8-14)21-17(22)15-9-5-2-6-10-15/h1-10,16H,12-13H2,(H,20,23)(H,21,22)/t16-/m0/s1.
What are the key properties of N-[(2S)-1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]benzamide?
N-[(2S)-1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 307.35 g/mol, XLogP of 1.67, 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)-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 11702265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).