N-(1-cyanocyclopentyl)-2-[2-(N-methylanilino)anilino]acetamide

C21H24N4O — CID 47064157

IUPACN-(1-cyanocyclopentyl)-2-[2-(N-methylanilino)anilino]acetamide
SMILESCN(c1ccccc1)c1ccccc1NCC(=O)NC1(C#N)CCCC1
InChIInChI=1S/C21H24N4O/c1-25(17-9-3-2-4-10-17)19-12-6-5-11-18(19)23-15-20(26)24-21(16-22)13-7-8-14-21/h2-6,9-12,23H,7-8,13-15H2,1H3,(H,24,26)
InChIKeyHXUFMLLWEGLRFB-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.82
Rot. Bonds6

About N-(1-cyanocyclopentyl)-2-[2-(N-methylanilino)anilino]acetamide

N-(1-cyanocyclopentyl)-2-[2-(N-methylanilino)anilino]acetamide (PubChem CID 47064157) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-[2-(N-methylanilino)anilino]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-[2-(N-methylanilino)anilino]acetamide
PubChem CID47064157
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-(1-cyanocyclopentyl)-2-[2-(N-methylanilino)anilino]acetamide
SMILESCN(c1ccccc1)c1ccccc1NCC(=O)NC1(C#N)CCCC1
InChIInChI=1S/C21H24N4O/c1-25(17-9-3-2-4-10-17)19-12-6-5-11-18(19)23-15-20(26)24-21(16-22)13-7-8-14-21/h2-6,9-12,23H,7-8,13-15H2,1H3,(H,24,26)
InChIKeyHXUFMLLWEGLRFB-UHFFFAOYSA-N
XLogP3.82
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-benzylanilino)-N-(1-cyanocyclopentyl)acetamide
CID 33163851
N-(1-cyanocyclopentyl)-2-(2-cyclopentyloxyanilino)acetamide
CID 47064203
methyl 2-[2-(N-methylanilino)anilino]acetate
CID 47313605
N-(1-cyanocyclohexyl)-2-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]anilino]acetamide
CID 126841359
N-(1-cyanocycloheptyl)-2-[N-(2-hydroxypropyl)anilino]acetamide
CID 51106356
4-chloro-2-[[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 55898568
2-(3-chloro-2-fluoroanilino)-N-(1-cyanocyclohexyl)acetamide
CID 33164628
N-(1,1-dioxothiolan-3-yl)-2-[2-(N-methylanilino)anilino]acetamide
CID 51117326
N-(1-cyanocycloheptyl)-2-(2,6-dimethylanilino)acetamide
CID 32908656
N-(1-cyanocyclohexyl)-2-(2,4-dimethylanilino)acetamide
CID 51183021
N-(1-cyanocyclopentyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
CID 26542850
N-(1-cyanocyclopentyl)-2-[methyl(1-phenylethyl)amino]acetamide
CID 51073006

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-[2-(N-methylanilino)anilino]acetamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-[2-(N-methylanilino)anilino]acetamide (CID 47064157) is N-(1-cyanocyclopentyl)-2-[2-(N-methylanilino)anilino]acetamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-[2-(N-methylanilino)anilino]acetamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-[2-(N-methylanilino)anilino]acetamide is CN(c1ccccc1)c1ccccc1NCC(=O)NC1(C#N)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-[2-(N-methylanilino)anilino]acetamide?
The InChIKey is HXUFMLLWEGLRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-25(17-9-3-2-4-10-17)19-12-6-5-11-18(19)23-15-20(26)24-21(16-22)13-7-8-14-21/h2-6,9-12,23H,7-8,13-15H2,1H3,(H,24,26).
What are the key properties of N-(1-cyanocyclopentyl)-2-[2-(N-methylanilino)anilino]acetamide?
N-(1-cyanocyclopentyl)-2-[2-(N-methylanilino)anilino]acetamide has a molecular weight of 348.45 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-[2-(N-methylanilino)anilino]acetamide is sourced from PubChem (CID 47064157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).