ethane;N-ethyl-3-hydroxyoxetane-3-carboxamide

C8H17NO3 — CID 170610220

IUPACethane;N-ethyl-3-hydroxyoxetane-3-carboxamide
SMILESCC.CCNC(=O)C1(O)COC1
InChIInChI=1S/C6H11NO3.C2H6/c1-2-7-5(8)6(9)3-10-4-6;1-2/h9H,2-4H2,1H3,(H,7,8);1-2H3
InChIKeyREKQUJXADFRAPJ-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.09
Rot. Bonds2

About ethane;N-ethyl-3-hydroxyoxetane-3-carboxamide

ethane;N-ethyl-3-hydroxyoxetane-3-carboxamide (PubChem CID 170610220) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is ethane;N-ethyl-3-hydroxyoxetane-3-carboxamide.

Molecular Properties

Compound Nameethane;N-ethyl-3-hydroxyoxetane-3-carboxamide
PubChem CID170610220
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Nameethane;N-ethyl-3-hydroxyoxetane-3-carboxamide
SMILESCC.CCNC(=O)C1(O)COC1
InChIInChI=1S/C6H11NO3.C2H6/c1-2-7-5(8)6(9)3-10-4-6;1-2/h9H,2-4H2,1H3,(H,7,8);1-2H3
InChIKeyREKQUJXADFRAPJ-UHFFFAOYSA-N
XLogP-0.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-hydroxycyclopentane-1-carboxamide
CID 131085818
N-ethyl-4-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxamide
CID 71120028
ethane;N-ethyl-4-(trifluoromethyl)oxane-4-carboxamide
CID 164556022
(3R)-N-ethyl-3-hydroxypiperidine-3-carboxamide
CID 124673250
N-ethyl-1-fluorocyclopropane-1-carboxamide;molecular hydrogen
CID 176683431
1-amino-N-ethylcyclopropane-1-carboxamide;hydrochloride
CID 134692608
N-ethyl-1,2,2-trimethylcyclopentane-1-carboxamide
CID 135255073
3-hydroxyoxetane-3-carboxylic acid
CID 84647752
N-ethyl-1-methylcyclobutane-1-carboxamide
CID 131131875
3-(ethylaminomethyl)-N-propyloxetane-3-carboxamide
CID 177193420
N-ethyl-4-(propylamino)oxane-4-carboxamide
CID 147346977
N-ethyl-1-propan-2-ylcyclohexane-1-carboxamide
CID 3016622

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-3-hydroxyoxetane-3-carboxamide?
The IUPAC name of ethane;N-ethyl-3-hydroxyoxetane-3-carboxamide (CID 170610220) is ethane;N-ethyl-3-hydroxyoxetane-3-carboxamide.
What is the SMILES notation for ethane;N-ethyl-3-hydroxyoxetane-3-carboxamide?
The canonical SMILES for ethane;N-ethyl-3-hydroxyoxetane-3-carboxamide is CC.CCNC(=O)C1(O)COC1.
What is the InChIKey of ethane;N-ethyl-3-hydroxyoxetane-3-carboxamide?
The InChIKey is REKQUJXADFRAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3.C2H6/c1-2-7-5(8)6(9)3-10-4-6;1-2/h9H,2-4H2,1H3,(H,7,8);1-2H3.
What are the key properties of ethane;N-ethyl-3-hydroxyoxetane-3-carboxamide?
ethane;N-ethyl-3-hydroxyoxetane-3-carboxamide has a molecular weight of 175.23 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-3-hydroxyoxetane-3-carboxamide is sourced from PubChem (CID 170610220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).