N-(1-ethylazetidin-3-yl)cyclohexanecarboxamide;molecular hydrogen

C12H24N2O — CID 153353379

IUPACN-(1-ethylazetidin-3-yl)cyclohexanecarboxamide;molecular hydrogen
SMILESCCN1CC(NC(=O)C2CCCCC2)C1.[H][H]
InChIInChI=1S/C12H22N2O.H2/c1-2-14-8-11(9-14)13-12(15)10-6-4-3-5-7-10;/h10-11H,2-9H2,1H3,(H,13,15);1H
InChIKeyLJSLJWWQTMJYOV-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.63
Rot. Bonds3

About N-(1-ethylazetidin-3-yl)cyclohexanecarboxamide;molecular hydrogen

N-(1-ethylazetidin-3-yl)cyclohexanecarboxamide;molecular hydrogen (PubChem CID 153353379) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-(1-ethylazetidin-3-yl)cyclohexanecarboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-(1-ethylazetidin-3-yl)cyclohexanecarboxamide;molecular hydrogen
PubChem CID153353379
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-(1-ethylazetidin-3-yl)cyclohexanecarboxamide;molecular hydrogen
SMILESCCN1CC(NC(=O)C2CCCCC2)C1.[H][H]
InChIInChI=1S/C12H22N2O.H2/c1-2-14-8-11(9-14)13-12(15)10-6-4-3-5-7-10;/h10-11H,2-9H2,1H3,(H,13,15);1H
InChIKeyLJSLJWWQTMJYOV-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-methylazetidin-3-yl)cyclohexanecarboxamide;molecular hydrogen
CID 156726408
N-(1-ethylazetidin-3-yl)pyrrolidine-2-carboxamide
CID 130638003
N-cycloheptylcycloheptanecarboxamide
CID 129091005
N-cyclopropylcycloheptanecarboxamide
CID 62778853
N-cyclopropylcyclohexanecarboxamide
CID 3412875
N-cyclodecylcyclododecanecarboxamide
CID 135182352
N-cyclopentyl-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145772
N-[1-(2-ethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 60550291
N-[4-(propylamino)cyclohexyl]cyclooctanecarboxamide
CID 65019205
1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
N-cyclopentylcyclobutanecarboxamide
CID 21158774
1-(1-ethylazetidin-3-yl)-3-methylurea
CID 126997556

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylazetidin-3-yl)cyclohexanecarboxamide;molecular hydrogen?
The IUPAC name of N-(1-ethylazetidin-3-yl)cyclohexanecarboxamide;molecular hydrogen (CID 153353379) is N-(1-ethylazetidin-3-yl)cyclohexanecarboxamide;molecular hydrogen.
What is the SMILES notation for N-(1-ethylazetidin-3-yl)cyclohexanecarboxamide;molecular hydrogen?
The canonical SMILES for N-(1-ethylazetidin-3-yl)cyclohexanecarboxamide;molecular hydrogen is CCN1CC(NC(=O)C2CCCCC2)C1.[H][H].
What is the InChIKey of N-(1-ethylazetidin-3-yl)cyclohexanecarboxamide;molecular hydrogen?
The InChIKey is LJSLJWWQTMJYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O.H2/c1-2-14-8-11(9-14)13-12(15)10-6-4-3-5-7-10;/h10-11H,2-9H2,1H3,(H,13,15);1H.
What are the key properties of N-(1-ethylazetidin-3-yl)cyclohexanecarboxamide;molecular hydrogen?
N-(1-ethylazetidin-3-yl)cyclohexanecarboxamide;molecular hydrogen has a molecular weight of 212.34 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylazetidin-3-yl)cyclohexanecarboxamide;molecular hydrogen is sourced from PubChem (CID 153353379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).