2-amino-N-[(4-cyanophenyl)methyl]acetamide

C10H11N3O — CID 60919000

IUPAC2-amino-N-[(4-cyanophenyl)methyl]acetamide
SMILESN#Cc1ccc(CNC(=O)CN)cc1
InChIInChI=1S/C10H11N3O/c11-5-8-1-3-9(4-2-8)7-13-10(14)6-12/h1-4H,6-7,12H2,(H,13,14)
InChIKeyUESUVGHSSHBGRP-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.13
Rot. Bonds3

About 2-amino-N-[(4-cyanophenyl)methyl]acetamide

2-amino-N-[(4-cyanophenyl)methyl]acetamide (PubChem CID 60919000) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-amino-N-[(4-cyanophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(4-cyanophenyl)methyl]acetamide
PubChem CID60919000
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name2-amino-N-[(4-cyanophenyl)methyl]acetamide
SMILESN#Cc1ccc(CNC(=O)CN)cc1
InChIInChI=1S/C10H11N3O/c11-5-8-1-3-9(4-2-8)7-13-10(14)6-12/h1-4H,6-7,12H2,(H,13,14)
InChIKeyUESUVGHSSHBGRP-UHFFFAOYSA-N
XLogP0.13
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 62403486
2-(4-bromophenyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 46591143
2-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 46587399
2-[1-(aminomethyl)cyclohexyl]-N-[(4-cyanophenyl)methyl]acetamide
CID 104677749
2-amino-N-[(4-sulfanylphenyl)methyl]acetamide
CID 134312272
N-[(4-cyanophenyl)methyl]-3-oxo-3-phenylpropanamide
CID 110473207
N-[(4-cyanophenyl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 110483851
2-(1-aminocyclobutyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 79854071
2-(1-aminocyclohexyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 64684065
4-[[(2-aminoacetyl)amino]methyl]benzoic acid
CID 25270511
(2S)-2-amino-N-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-3-methylbutanamide
CID 82963489
N-[(4-cyanophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 46587432

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-cyanophenyl)methyl]acetamide?
The IUPAC name of 2-amino-N-[(4-cyanophenyl)methyl]acetamide (CID 60919000) is 2-amino-N-[(4-cyanophenyl)methyl]acetamide.
What is the SMILES notation for 2-amino-N-[(4-cyanophenyl)methyl]acetamide?
The canonical SMILES for 2-amino-N-[(4-cyanophenyl)methyl]acetamide is N#Cc1ccc(CNC(=O)CN)cc1.
What is the InChIKey of 2-amino-N-[(4-cyanophenyl)methyl]acetamide?
The InChIKey is UESUVGHSSHBGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c11-5-8-1-3-9(4-2-8)7-13-10(14)6-12/h1-4H,6-7,12H2,(H,13,14).
What are the key properties of 2-amino-N-[(4-cyanophenyl)methyl]acetamide?
2-amino-N-[(4-cyanophenyl)methyl]acetamide has a molecular weight of 189.22 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-cyanophenyl)methyl]acetamide is sourced from PubChem (CID 60919000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).