N-[4-(cyanomethyl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide

C18H17N3O3 — CID 9259898

IUPACN-[4-(cyanomethyl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
SMILESN#CCc1ccc(NC(=O)CNC(=O)COc2ccccc2)cc1
InChIInChI=1S/C18H17N3O3/c19-11-10-14-6-8-15(9-7-14)21-17(22)12-20-18(23)13-24-16-4-2-1-3-5-16/h1-9H,10,12-13H2,(H,20,23)(H,21,22)
InChIKeyYQJBEHDKRYERBG-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.89
Rot. Bonds7

About N-[4-(cyanomethyl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide

N-[4-(cyanomethyl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide (PubChem CID 9259898) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
PubChem CID9259898
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-[4-(cyanomethyl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
SMILESN#CCc1ccc(NC(=O)CNC(=O)COc2ccccc2)cc1
InChIInChI=1S/C18H17N3O3/c19-11-10-14-6-8-15(9-7-14)21-17(22)12-20-18(23)13-24-16-4-2-1-3-5-16/h1-9H,10,12-13H2,(H,20,23)(H,21,22)
InChIKeyYQJBEHDKRYERBG-UHFFFAOYSA-N
XLogP1.89
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(cyanomethyl)phenoxy]-N-(4-cyanophenyl)acetamide
CID 43824284
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 32940179
N-(4-pentylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 26776941
N-[4-(cyanomethyl)phenyl]-2-phenylacetamide
CID 674697
N-[4-(cyanomethyl)phenyl]-2-(4-nitrophenoxy)acetamide
CID 674702
2-[4-(cyanomethyl)phenoxy]-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide
CID 55848331
2-[4-(cyanomethyl)phenoxy]-N-ethylacetamide
CID 24702557
2-[(2-phenoxyacetyl)amino]-N-[4-(1-phenylethylamino)phenyl]acetamide
CID 55987173
2-[(2-phenoxyacetyl)amino]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 27701577
N-[4-(2-chloroethyl)phenyl]-2-phenoxyacetamide
CID 114299206
2-[2-[4-(cyanomethyl)anilino]-2-oxoethoxy]-N-phenylbenzamide
CID 8866379
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-[4-(cyanomethyl)phenyl]acetamide
CID 100801141

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide (CID 9259898) is N-[4-(cyanomethyl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide is N#CCc1ccc(NC(=O)CNC(=O)COc2ccccc2)cc1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide?
The InChIKey is YQJBEHDKRYERBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c19-11-10-14-6-8-15(9-7-14)21-17(22)12-20-18(23)13-24-16-4-2-1-3-5-16/h1-9H,10,12-13H2,(H,20,23)(H,21,22).
What are the key properties of N-[4-(cyanomethyl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide?
N-[4-(cyanomethyl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide has a molecular weight of 323.35 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide is sourced from PubChem (CID 9259898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).