N-(1-cyanocycloheptyl)-2-(2,6-dimethylanilino)acetamide

C18H25N3O — CID 32908656

IUPACN-(1-cyanocycloheptyl)-2-(2,6-dimethylanilino)acetamide
SMILESCc1cccc(C)c1NCC(=O)NC1(C#N)CCCCCC1
InChIInChI=1S/C18H25N3O/c1-14-8-7-9-15(2)17(14)20-12-16(22)21-18(13-19)10-5-3-4-6-11-18/h7-9,20H,3-6,10-12H2,1-2H3,(H,21,22)
InChIKeyNRBTYYPFUWOQSY-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.45
Rot. Bonds4

About N-(1-cyanocycloheptyl)-2-(2,6-dimethylanilino)acetamide

N-(1-cyanocycloheptyl)-2-(2,6-dimethylanilino)acetamide (PubChem CID 32908656) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)-2-(2,6-dimethylanilino)acetamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)-2-(2,6-dimethylanilino)acetamide
PubChem CID32908656
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC NameN-(1-cyanocycloheptyl)-2-(2,6-dimethylanilino)acetamide
SMILESCc1cccc(C)c1NCC(=O)NC1(C#N)CCCCCC1
InChIInChI=1S/C18H25N3O/c1-14-8-7-9-15(2)17(14)20-12-16(22)21-18(13-19)10-5-3-4-6-11-18/h7-9,20H,3-6,10-12H2,1-2H3,(H,21,22)
InChIKeyNRBTYYPFUWOQSY-UHFFFAOYSA-N
XLogP3.45
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanocyclohexyl)-2-(2,4-dimethylanilino)acetamide
CID 51183021
N-(1-cyanocyclohexyl)-2-[3-(hydroxymethyl)anilino]acetamide
CID 110877972
2-(3-chloro-2-fluoroanilino)-N-(1-cyanocyclohexyl)acetamide
CID 33164628
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8528080
2-(4-cyanoanilino)-N-(1-cyanocyclopentyl)acetamide
CID 26507758
N-(1-cyanocyclohexyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 7468590
2-(2-benzylanilino)-N-(1-cyanocyclopentyl)acetamide
CID 33163851
N-(1-cyanocyclohexyl)-2-(3,5-dichloroanilino)acetamide
CID 51183090
N-(1-cyanocycloheptyl)-2-phenylsulfanylacetamide
CID 47149296
N-(1-cyanocyclopentyl)-2-(3,4-dimethylphenyl)acetamide
CID 55023977
N-(1-cyanocyclohexyl)-2-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]anilino]acetamide
CID 126841359
N-(1-cyanocycloheptyl)-2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]acetamide
CID 33005767

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocycloheptyl)-2-(2,6-dimethylanilino)acetamide?
The IUPAC name of N-(1-cyanocycloheptyl)-2-(2,6-dimethylanilino)acetamide (CID 32908656) is N-(1-cyanocycloheptyl)-2-(2,6-dimethylanilino)acetamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)-2-(2,6-dimethylanilino)acetamide?
The canonical SMILES for N-(1-cyanocycloheptyl)-2-(2,6-dimethylanilino)acetamide is Cc1cccc(C)c1NCC(=O)NC1(C#N)CCCCCC1.
What is the InChIKey of N-(1-cyanocycloheptyl)-2-(2,6-dimethylanilino)acetamide?
The InChIKey is NRBTYYPFUWOQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-14-8-7-9-15(2)17(14)20-12-16(22)21-18(13-19)10-5-3-4-6-11-18/h7-9,20H,3-6,10-12H2,1-2H3,(H,21,22).
What are the key properties of N-(1-cyanocycloheptyl)-2-(2,6-dimethylanilino)acetamide?
N-(1-cyanocycloheptyl)-2-(2,6-dimethylanilino)acetamide has a molecular weight of 299.42 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)-2-(2,6-dimethylanilino)acetamide is sourced from PubChem (CID 32908656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).