N-(1-cyanocycloheptyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide

C20H26N4O2 — CID 46534675

IUPACN-(1-cyanocycloheptyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
SMILESN#CC1(NC(=O)CNc2ccccc2N2CCCC2=O)CCCCCC1
InChIInChI=1S/C20H26N4O2/c21-15-20(11-5-1-2-6-12-20)23-18(25)14-22-16-8-3-4-9-17(16)24-13-7-10-19(24)26/h3-4,8-9,22H,1-2,5-7,10-14H2,(H,23,25)
InChIKeyAFNACTAGVWGQKN-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.96
Rot. Bonds5

About N-(1-cyanocycloheptyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide

N-(1-cyanocycloheptyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide (PubChem CID 46534675) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
PubChem CID46534675
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-(1-cyanocycloheptyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
SMILESN#CC1(NC(=O)CNc2ccccc2N2CCCC2=O)CCCCCC1
InChIInChI=1S/C20H26N4O2/c21-15-20(11-5-1-2-6-12-20)23-18(25)14-22-16-8-3-4-9-17(16)24-13-7-10-19(24)26/h3-4,8-9,22H,1-2,5-7,10-14H2,(H,23,25)
InChIKeyAFNACTAGVWGQKN-UHFFFAOYSA-N
XLogP2.96
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyanocyclopentyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
CID 26542850
N-(2,6-dimethylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
CID 17491113
4-[[2-[2-(2-oxopyrrolidin-1-yl)anilino]acetyl]amino]benzamide
CID 17497451
N-(1-methoxypropan-2-yl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
CID 51260899
2-[2-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 26542736
2-(3-chloro-2-fluoroanilino)-N-(1-cyanocyclohexyl)acetamide
CID 33164628
N-(1-cyanocyclohexyl)-2-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]anilino]acetamide
CID 126841359
N-(2-ethyl-6-methylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
CID 26542779
N-(1-cyanocyclopentyl)-2-(2-cyclopentyloxyanilino)acetamide
CID 47064203
2-(methylamino)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride
CID 119693883
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 112722701
N-(1-cyanocyclopentyl)-2-[2-(N-methylanilino)anilino]acetamide
CID 47064157

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocycloheptyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide?
The IUPAC name of N-(1-cyanocycloheptyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide (CID 46534675) is N-(1-cyanocycloheptyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide?
The canonical SMILES for N-(1-cyanocycloheptyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide is N#CC1(NC(=O)CNc2ccccc2N2CCCC2=O)CCCCCC1.
What is the InChIKey of N-(1-cyanocycloheptyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide?
The InChIKey is AFNACTAGVWGQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c21-15-20(11-5-1-2-6-12-20)23-18(25)14-22-16-8-3-4-9-17(16)24-13-7-10-19(24)26/h3-4,8-9,22H,1-2,5-7,10-14H2,(H,23,25).
What are the key properties of N-(1-cyanocycloheptyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide?
N-(1-cyanocycloheptyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide has a molecular weight of 354.45 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide is sourced from PubChem (CID 46534675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).