2-cycloheptyl-N-(2-hydroxycyclohexyl)-N-methylacetamide

C16H29NO2 — CID 102635605

IUPAC2-cycloheptyl-N-(2-hydroxycyclohexyl)-N-methylacetamide
SMILESCN(C(=O)CC1CCCCCC1)C1CCCCC1O
InChIInChI=1S/C16H29NO2/c1-17(14-10-6-7-11-15(14)18)16(19)12-13-8-4-2-3-5-9-13/h13-15,18H,2-12H2,1H3
InChIKeyIYYSMIJJRVJQCO-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.11
Rot. Bonds3

About 2-cycloheptyl-N-(2-hydroxycyclohexyl)-N-methylacetamide

2-cycloheptyl-N-(2-hydroxycyclohexyl)-N-methylacetamide (PubChem CID 102635605) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 2-cycloheptyl-N-(2-hydroxycyclohexyl)-N-methylacetamide.

Molecular Properties

Compound Name2-cycloheptyl-N-(2-hydroxycyclohexyl)-N-methylacetamide
PubChem CID102635605
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name2-cycloheptyl-N-(2-hydroxycyclohexyl)-N-methylacetamide
SMILESCN(C(=O)CC1CCCCCC1)C1CCCCC1O
InChIInChI=1S/C16H29NO2/c1-17(14-10-6-7-11-15(14)18)16(19)12-13-8-4-2-3-5-9-13/h13-15,18H,2-12H2,1H3
InChIKeyIYYSMIJJRVJQCO-UHFFFAOYSA-N
XLogP3.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclobutyl-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 103164780
2-(1,1-dioxothiolan-3-yl)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 102634378
2-(1-aminocyclobutyl)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 102632099
2-(ethylamino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 102631990
N-(2-hydroxycyclohexyl)-2-methoxy-N-methylacetamide
CID 102634610
3-amino-N-(2-hydroxycyclohexyl)-N,3-dimethylbutanamide
CID 102632066
2-tert-butylsulfanyl-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 102635096
2-(4-ethylphenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylacetamide
CID 95397472
2-(3,5-difluorophenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylacetamide
CID 91767128
2-amino-N-[2-[(2-hydroxycyclohexyl)-methylamino]-2-oxoethyl]acetamide
CID 102631962
5-amino-N-(2-hydroxycyclohexyl)-N,4-dimethylpentanamide
CID 102631912
2-cyclohexyl-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119260670

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-N-(2-hydroxycyclohexyl)-N-methylacetamide?
The IUPAC name of 2-cycloheptyl-N-(2-hydroxycyclohexyl)-N-methylacetamide (CID 102635605) is 2-cycloheptyl-N-(2-hydroxycyclohexyl)-N-methylacetamide.
What is the SMILES notation for 2-cycloheptyl-N-(2-hydroxycyclohexyl)-N-methylacetamide?
The canonical SMILES for 2-cycloheptyl-N-(2-hydroxycyclohexyl)-N-methylacetamide is CN(C(=O)CC1CCCCCC1)C1CCCCC1O.
What is the InChIKey of 2-cycloheptyl-N-(2-hydroxycyclohexyl)-N-methylacetamide?
The InChIKey is IYYSMIJJRVJQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-17(14-10-6-7-11-15(14)18)16(19)12-13-8-4-2-3-5-9-13/h13-15,18H,2-12H2,1H3.
What are the key properties of 2-cycloheptyl-N-(2-hydroxycyclohexyl)-N-methylacetamide?
2-cycloheptyl-N-(2-hydroxycyclohexyl)-N-methylacetamide has a molecular weight of 267.41 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-N-(2-hydroxycyclohexyl)-N-methylacetamide is sourced from PubChem (CID 102635605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).