N-(1-cyanocyclohexyl)-2-[3-(hydroxymethyl)anilino]acetamide

C16H21N3O2 — CID 110877972

IUPACN-(1-cyanocyclohexyl)-2-[3-(hydroxymethyl)anilino]acetamide
SMILESN#CC1(NC(=O)CNc2cccc(CO)c2)CCCCC1
InChIInChI=1S/C16H21N3O2/c17-12-16(7-2-1-3-8-16)19-15(21)10-18-14-6-4-5-13(9-14)11-20/h4-6,9,18,20H,1-3,7-8,10-11H2,(H,19,21)
InChIKeyVVCXPWWDXZJPTI-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.93
Rot. Bonds5

About N-(1-cyanocyclohexyl)-2-[3-(hydroxymethyl)anilino]acetamide

N-(1-cyanocyclohexyl)-2-[3-(hydroxymethyl)anilino]acetamide (PubChem CID 110877972) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-[3-(hydroxymethyl)anilino]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-[3-(hydroxymethyl)anilino]acetamide
PubChem CID110877972
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(1-cyanocyclohexyl)-2-[3-(hydroxymethyl)anilino]acetamide
SMILESN#CC1(NC(=O)CNc2cccc(CO)c2)CCCCC1
InChIInChI=1S/C16H21N3O2/c17-12-16(7-2-1-3-8-16)19-15(21)10-18-14-6-4-5-13(9-14)11-20/h4-6,9,18,20H,1-3,7-8,10-11H2,(H,19,21)
InChIKeyVVCXPWWDXZJPTI-UHFFFAOYSA-N
XLogP1.93
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyanocyclohexyl)-2-(3,5-dichloroanilino)acetamide
CID 51183090
N-[4-(cyanomethyl)phenyl]-2-[3-(hydroxymethyl)anilino]acetamide
CID 110878874
N-(1-cyanocycloheptyl)-2-(2,6-dimethylanilino)acetamide
CID 32908656
N-(1-cyanocyclopentyl)-2-[3-(2-thiophen-2-ylethynyl)anilino]acetamide
CID 37219725
2-(4-cyanoanilino)-N-(1-cyanocyclopentyl)acetamide
CID 26507758
methyl 2-chloro-5-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]amino]benzoate
CID 37230490
N-(1-cyanocycloheptyl)-2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]acetamide
CID 33005767
2-(4-chloro-3-nitroanilino)-N-(1-cyanocyclohexyl)acetamide
CID 37478786
2-(2-benzylanilino)-N-(1-cyanocyclopentyl)acetamide
CID 33163851
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(1-cyanocyclopentyl)acetamide
CID 37479013
2-(3-chloro-2-fluoroanilino)-N-(1-cyanocyclohexyl)acetamide
CID 33164628
N-(1-cyanocyclohexyl)-2-[4-(difluoromethoxy)anilino]acetamide
CID 36586094

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-[3-(hydroxymethyl)anilino]acetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-[3-(hydroxymethyl)anilino]acetamide (CID 110877972) is N-(1-cyanocyclohexyl)-2-[3-(hydroxymethyl)anilino]acetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-[3-(hydroxymethyl)anilino]acetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-[3-(hydroxymethyl)anilino]acetamide is N#CC1(NC(=O)CNc2cccc(CO)c2)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-[3-(hydroxymethyl)anilino]acetamide?
The InChIKey is VVCXPWWDXZJPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c17-12-16(7-2-1-3-8-16)19-15(21)10-18-14-6-4-5-13(9-14)11-20/h4-6,9,18,20H,1-3,7-8,10-11H2,(H,19,21).
What are the key properties of N-(1-cyanocyclohexyl)-2-[3-(hydroxymethyl)anilino]acetamide?
N-(1-cyanocyclohexyl)-2-[3-(hydroxymethyl)anilino]acetamide has a molecular weight of 287.36 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-[3-(hydroxymethyl)anilino]acetamide is sourced from PubChem (CID 110877972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).