N-ethyl-2-(2-hydroxyethyl)cyclobutane-1-carboxamide

C9H17NO2 — CID 163767381

IUPACN-ethyl-2-(2-hydroxyethyl)cyclobutane-1-carboxamide
SMILESCCNC(=O)C1CCC1CCO
InChIInChI=1S/C9H17NO2/c1-2-10-9(12)8-4-3-7(8)5-6-11/h7-8,11H,2-6H2,1H3,(H,10,12)
InChIKeyMDNAZOIKGGZLIX-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.53
Rot. Bonds4

About N-ethyl-2-(2-hydroxyethyl)cyclobutane-1-carboxamide

N-ethyl-2-(2-hydroxyethyl)cyclobutane-1-carboxamide (PubChem CID 163767381) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-ethyl-2-(2-hydroxyethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(2-hydroxyethyl)cyclobutane-1-carboxamide
PubChem CID163767381
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-ethyl-2-(2-hydroxyethyl)cyclobutane-1-carboxamide
SMILESCCNC(=O)C1CCC1CCO
InChIInChI=1S/C9H17NO2/c1-2-10-9(12)8-4-3-7(8)5-6-11/h7-8,11H,2-6H2,1H3,(H,10,12)
InChIKeyMDNAZOIKGGZLIX-UHFFFAOYSA-N
XLogP0.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 45084458
N-ethylbicyclo[3.1.0]hexane-6-carboxamide
CID 79600194
(3S)-5-(ethylcarbamoyl)cyclohexane-1,3-dicarboxylic acid
CID 70985200
N-ethyl-2-methyloxolane-3-carboxamide
CID 79758522
cis-methyl (1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate
CID 96536470
trans-methyl (1R,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate
CID 13005722
(1R,2S,5R)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 7168187
trans-(1R,2S)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 89464561
(1R)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 90384157
4-(2-cyclopropylethyl)-N-ethylpiperidine-2-carboxamide
CID 106779884
N-ethylcyclohex-2-ene-1-carboxamide
CID 130738610
2-(aminomethyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclopentane-1-carboxamide
CID 106148063

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-hydroxyethyl)cyclobutane-1-carboxamide?
The IUPAC name of N-ethyl-2-(2-hydroxyethyl)cyclobutane-1-carboxamide (CID 163767381) is N-ethyl-2-(2-hydroxyethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-ethyl-2-(2-hydroxyethyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-ethyl-2-(2-hydroxyethyl)cyclobutane-1-carboxamide is CCNC(=O)C1CCC1CCO.
What is the InChIKey of N-ethyl-2-(2-hydroxyethyl)cyclobutane-1-carboxamide?
The InChIKey is MDNAZOIKGGZLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-10-9(12)8-4-3-7(8)5-6-11/h7-8,11H,2-6H2,1H3,(H,10,12).
What are the key properties of N-ethyl-2-(2-hydroxyethyl)cyclobutane-1-carboxamide?
N-ethyl-2-(2-hydroxyethyl)cyclobutane-1-carboxamide has a molecular weight of 171.24 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-hydroxyethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 163767381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).