N-cyclobutyl-N-(2-hydroxyethyl)-5-methylfuran-2-carboxamide

C12H17NO3 — CID 102684491

IUPACN-cyclobutyl-N-(2-hydroxyethyl)-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)N(CCO)C2CCC2)o1
InChIInChI=1S/C12H17NO3/c1-9-5-6-11(16-9)12(15)13(7-8-14)10-3-2-4-10/h5-6,10,14H,2-4,7-8H2,1H3
InChIKeyTWQSENVAXMLIMW-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.58
Rot. Bonds4

About N-cyclobutyl-N-(2-hydroxyethyl)-5-methylfuran-2-carboxamide

N-cyclobutyl-N-(2-hydroxyethyl)-5-methylfuran-2-carboxamide (PubChem CID 102684491) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is N-cyclobutyl-N-(2-hydroxyethyl)-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(2-hydroxyethyl)-5-methylfuran-2-carboxamide
PubChem CID102684491
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC NameN-cyclobutyl-N-(2-hydroxyethyl)-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)N(CCO)C2CCC2)o1
InChIInChI=1S/C12H17NO3/c1-9-5-6-11(16-9)12(15)13(7-8-14)10-3-2-4-10/h5-6,10,14H,2-4,7-8H2,1H3
InChIKeyTWQSENVAXMLIMW-UHFFFAOYSA-N
XLogP1.58
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-piperidin-4-yl-N-propylfuran-2-carboxamide
CID 60805408
N-cyclobutyl-N-(2-hydroxyethyl)-5-methyl-1-benzofuran-2-carboxamide
CID 102684442
N-cyclobutyl-4-ethyl-N-(2-hydroxyethyl)benzamide
CID 102684931
5-bromo-N-cyclobutyl-N-(3-hydroxypropyl)furan-2-carboxamide
CID 102862780
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-5-methylfuran-2-carboxamide
CID 61231129
N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylfuran-2-carboxamide
CID 43572981
N-cyclohexyl-N-(2-hydroxyethyl)furan-2-carboxamide
CID 54942763
N-(2-chloroethyl)-N-cyclopentyl-5-ethylfuran-2-carboxamide
CID 79084217
N-cyclohexyl-N-(2-hydroxyethyl)-5-methylfuran-3-carboxamide
CID 114821743
1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide
CID 3317185
5-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]furan-2-carboxamide
CID 61343308
N-cyclopentyl-N-(2-hydroxyethyl)-3,5-dimethylbenzamide
CID 54993921

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(2-hydroxyethyl)-5-methylfuran-2-carboxamide?
The IUPAC name of N-cyclobutyl-N-(2-hydroxyethyl)-5-methylfuran-2-carboxamide (CID 102684491) is N-cyclobutyl-N-(2-hydroxyethyl)-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-cyclobutyl-N-(2-hydroxyethyl)-5-methylfuran-2-carboxamide?
The canonical SMILES for N-cyclobutyl-N-(2-hydroxyethyl)-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)N(CCO)C2CCC2)o1.
What is the InChIKey of N-cyclobutyl-N-(2-hydroxyethyl)-5-methylfuran-2-carboxamide?
The InChIKey is TWQSENVAXMLIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9-5-6-11(16-9)12(15)13(7-8-14)10-3-2-4-10/h5-6,10,14H,2-4,7-8H2,1H3.
What are the key properties of N-cyclobutyl-N-(2-hydroxyethyl)-5-methylfuran-2-carboxamide?
N-cyclobutyl-N-(2-hydroxyethyl)-5-methylfuran-2-carboxamide has a molecular weight of 223.27 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(2-hydroxyethyl)-5-methylfuran-2-carboxamide is sourced from PubChem (CID 102684491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).