N,N-diethyl-4-hydroxycyclohexane-1-carboxamide

C11H21NO2 — CID 83699813

IUPACN,N-diethyl-4-hydroxycyclohexane-1-carboxamide
SMILESCCN(CC)C(=O)C1CCC(O)CC1
InChIInChI=1S/C11H21NO2/c1-3-12(4-2)11(14)9-5-7-10(13)8-6-9/h9-10,13H,3-8H2,1-2H3
InChIKeyZLWGAEHPNXCESM-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.41
Rot. Bonds3

About N,N-diethyl-4-hydroxycyclohexane-1-carboxamide

N,N-diethyl-4-hydroxycyclohexane-1-carboxamide (PubChem CID 83699813) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N,N-diethyl-4-hydroxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-hydroxycyclohexane-1-carboxamide
PubChem CID83699813
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN,N-diethyl-4-hydroxycyclohexane-1-carboxamide
SMILESCCN(CC)C(=O)C1CCC(O)CC1
InChIInChI=1S/C11H21NO2/c1-3-12(4-2)11(14)9-5-7-10(13)8-6-9/h9-10,13H,3-8H2,1-2H3
InChIKeyZLWGAEHPNXCESM-UHFFFAOYSA-N
XLogP1.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-hydroxycyclohexane-1-carboxamide?
The IUPAC name of N,N-diethyl-4-hydroxycyclohexane-1-carboxamide (CID 83699813) is N,N-diethyl-4-hydroxycyclohexane-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-hydroxycyclohexane-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-hydroxycyclohexane-1-carboxamide is CCN(CC)C(=O)C1CCC(O)CC1.
What is the InChIKey of N,N-diethyl-4-hydroxycyclohexane-1-carboxamide?
The InChIKey is ZLWGAEHPNXCESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-12(4-2)11(14)9-5-7-10(13)8-6-9/h9-10,13H,3-8H2,1-2H3.
What are the key properties of N,N-diethyl-4-hydroxycyclohexane-1-carboxamide?
N,N-diethyl-4-hydroxycyclohexane-1-carboxamide has a molecular weight of 199.29 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-hydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 83699813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).