N-cyclopropyl-2-(4,4-difluorocyclohexyl)-N-(2-hydroxyethyl)acetamide

C13H21F2NO2 — CID 154866134

IUPACN-cyclopropyl-2-(4,4-difluorocyclohexyl)-N-(2-hydroxyethyl)acetamide
SMILESO=C(CC1CCC(F)(F)CC1)N(CCO)C1CC1
InChIInChI=1S/C13H21F2NO2/c14-13(15)5-3-10(4-6-13)9-12(18)16(7-8-17)11-1-2-11/h10-11,17H,1-9H2
InChIKeyAGEDIMNOLHGQHH-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.19
Rot. Bonds5

About N-cyclopropyl-2-(4,4-difluorocyclohexyl)-N-(2-hydroxyethyl)acetamide

N-cyclopropyl-2-(4,4-difluorocyclohexyl)-N-(2-hydroxyethyl)acetamide (PubChem CID 154866134) has the molecular formula C13H21F2NO2 and a molecular weight of 261.31 g/mol. Its IUPAC name is N-cyclopropyl-2-(4,4-difluorocyclohexyl)-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4,4-difluorocyclohexyl)-N-(2-hydroxyethyl)acetamide
PubChem CID154866134
Molecular FormulaC13H21F2NO2
Molecular Weight261.31 g/mol
Exact Mass261.15
IUPAC NameN-cyclopropyl-2-(4,4-difluorocyclohexyl)-N-(2-hydroxyethyl)acetamide
SMILESO=C(CC1CCC(F)(F)CC1)N(CCO)C1CC1
InChIInChI=1S/C13H21F2NO2/c14-13(15)5-3-10(4-6-13)9-12(18)16(7-8-17)11-1-2-11/h10-11,17H,1-9H2
InChIKeyAGEDIMNOLHGQHH-UHFFFAOYSA-N
XLogP2.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dicyclopropyl-N-(2-hydroxyethyl)acetamide
CID 43576624
2-bromo-N-cyclopropyl-N-(2-hydroxyethyl)acetamide
CID 63679872
3-bromo-N-cyclobutyl-N-(2-hydroxyethyl)propanamide
CID 102861214
N-(2-chloroethyl)-2-cyclohexyl-N-cyclopropylacetamide
CID 63394887
N-(2-chloroethyl)-N-cyclobutyl-2-cyclopropylacetamide
CID 102872541
N-(2-chloroethyl)-N,2-di(cyclobutyl)acetamide
CID 103166954
N-(2-bromoethyl)-N-cyclobutyl-2-cycloheptylacetamide
CID 102873056
N-cyclobutyl-N-(2-hydroxyethyl)-2-sulfanylacetamide
CID 102875349
N-(2-chloroethyl)-N-cyclopropyl-2-(thian-4-yl)acetamide
CID 83136807
N-(2-cyanoethyl)-2-cycloheptyl-N-cyclopropylacetamide
CID 115680039
2-cyano-N-cyclobutyl-N-(2-hydroxyethyl)acetamide
CID 102684534
5-[cyclopropyl(2-hydroxyethyl)amino]-5-oxopentanoic acid
CID 43578459

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4,4-difluorocyclohexyl)-N-(2-hydroxyethyl)acetamide?
The IUPAC name of N-cyclopropyl-2-(4,4-difluorocyclohexyl)-N-(2-hydroxyethyl)acetamide (CID 154866134) is N-cyclopropyl-2-(4,4-difluorocyclohexyl)-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(4,4-difluorocyclohexyl)-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(4,4-difluorocyclohexyl)-N-(2-hydroxyethyl)acetamide is O=C(CC1CCC(F)(F)CC1)N(CCO)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(4,4-difluorocyclohexyl)-N-(2-hydroxyethyl)acetamide?
The InChIKey is AGEDIMNOLHGQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2NO2/c14-13(15)5-3-10(4-6-13)9-12(18)16(7-8-17)11-1-2-11/h10-11,17H,1-9H2.
What are the key properties of N-cyclopropyl-2-(4,4-difluorocyclohexyl)-N-(2-hydroxyethyl)acetamide?
N-cyclopropyl-2-(4,4-difluorocyclohexyl)-N-(2-hydroxyethyl)acetamide has a molecular weight of 261.31 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4,4-difluorocyclohexyl)-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 154866134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).