N-ethyl-4-hydroxycyclohexane-1-carboxamide

C9H17NO2 — CID 19261474

IUPACN-ethyl-4-hydroxycyclohexane-1-carboxamide
SMILESCCNC(=O)C1CCC(O)CC1
InChIInChI=1S/C9H17NO2/c1-2-10-9(12)7-3-5-8(11)6-4-7/h7-8,11H,2-6H2,1H3,(H,10,12)
InChIKeyMXZHVKLDMUJSST-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.67
Rot. Bonds2

About N-ethyl-4-hydroxycyclohexane-1-carboxamide

N-ethyl-4-hydroxycyclohexane-1-carboxamide (PubChem CID 19261474) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-ethyl-4-hydroxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-hydroxycyclohexane-1-carboxamide
PubChem CID19261474
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-ethyl-4-hydroxycyclohexane-1-carboxamide
SMILESCCNC(=O)C1CCC(O)CC1
InChIInChI=1S/C9H17NO2/c1-2-10-9(12)7-3-5-8(11)6-4-7/h7-8,11H,2-6H2,1H3,(H,10,12)
InChIKeyMXZHVKLDMUJSST-UHFFFAOYSA-N
XLogP0.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-hydroxycyclohexane-1-carboxamide?
The IUPAC name of N-ethyl-4-hydroxycyclohexane-1-carboxamide (CID 19261474) is N-ethyl-4-hydroxycyclohexane-1-carboxamide.
What is the SMILES notation for N-ethyl-4-hydroxycyclohexane-1-carboxamide?
The canonical SMILES for N-ethyl-4-hydroxycyclohexane-1-carboxamide is CCNC(=O)C1CCC(O)CC1.
What is the InChIKey of N-ethyl-4-hydroxycyclohexane-1-carboxamide?
The InChIKey is MXZHVKLDMUJSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-10-9(12)7-3-5-8(11)6-4-7/h7-8,11H,2-6H2,1H3,(H,10,12).
What are the key properties of N-ethyl-4-hydroxycyclohexane-1-carboxamide?
N-ethyl-4-hydroxycyclohexane-1-carboxamide has a molecular weight of 171.24 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-hydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 19261474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).