N-[4-(cyanomethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide

C20H19N3O3 — CID 27446201

IUPACN-[4-(cyanomethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
SMILESN#CCc1ccc(NC(=O)COc2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C20H19N3O3/c21-12-11-15-3-5-16(6-4-15)22-19(24)14-26-18-9-7-17(8-10-18)23-13-1-2-20(23)25/h3-10H,1-2,11,13-14H2,(H,22,24)
InChIKeyWVDYMAQQUPYQIO-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.90
Rot. Bonds6

About N-[4-(cyanomethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide

N-[4-(cyanomethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide (PubChem CID 27446201) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
PubChem CID27446201
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-[4-(cyanomethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
SMILESN#CCc1ccc(NC(=O)COc2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C20H19N3O3/c21-12-11-15-3-5-16(6-4-15)22-19(24)14-26-18-9-7-17(8-10-18)23-13-1-2-20(23)25/h3-10H,1-2,11,13-14H2,(H,22,24)
InChIKeyWVDYMAQQUPYQIO-UHFFFAOYSA-N
XLogP2.90
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenoxy)-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687329
N-[4-(cyanomethyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9260210
methyl 4-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoate
CID 26685968
2-(3,4-dimethylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8716554
N-(3,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 26685964
2-[4-(cyanomethyl)phenoxy]-N-(4-cyanophenyl)acetamide
CID 43824284
methyl 2-[[4-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoyl]amino]acetate
CID 32622035
N-(9H-fluoren-3-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 26781987
N-(4-methoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9042283
2-(3-methylphenoxy)-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687320
2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-(3-phenoxyphenyl)acetamide
CID 55411979
N'-(4-fluorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetohydrazide
CID 71901454

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide (CID 27446201) is N-[4-(cyanomethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide is N#CCc1ccc(NC(=O)COc2ccc(N3CCCC3=O)cc2)cc1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The InChIKey is WVDYMAQQUPYQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c21-12-11-15-3-5-16(6-4-15)22-19(24)14-26-18-9-7-17(8-10-18)23-13-1-2-20(23)25/h3-10H,1-2,11,13-14H2,(H,22,24).
What are the key properties of N-[4-(cyanomethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
N-[4-(cyanomethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide has a molecular weight of 349.39 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide is sourced from PubChem (CID 27446201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).