N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-ethylfuran-3-carboxamide

C11H17NO5 — CID 114103218

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-ethylfuran-3-carboxamide
SMILESCCc1occc1C(=O)NC(CO)(CO)CO
InChIInChI=1S/C11H17NO5/c1-2-9-8(3-4-17-9)10(16)12-11(5-13,6-14)7-15/h3-4,13-15H,2,5-7H2,1H3,(H,12,16)
InChIKeyMUHLCGDBEFGMBX-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.71
Rot. Bonds6

About N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-ethylfuran-3-carboxamide

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-ethylfuran-3-carboxamide (PubChem CID 114103218) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-ethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-ethylfuran-3-carboxamide
PubChem CID114103218
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-ethylfuran-3-carboxamide
SMILESCCc1occc1C(=O)NC(CO)(CO)CO
InChIInChI=1S/C11H17NO5/c1-2-9-8(3-4-17-9)10(16)12-11(5-13,6-14)7-15/h3-4,13-15H,2,5-7H2,1H3,(H,12,16)
InChIKeyMUHLCGDBEFGMBX-UHFFFAOYSA-N
XLogP-0.71
TPSA102.93 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N-[4-(hydroxymethyl)phenyl]furan-3-carboxamide
CID 114103175
N-[2-(aminomethyl)-2-ethylbutyl]-2-ethylfuran-3-carboxamide
CID 114164084
N-(4-chloropentyl)-2-ethylfuran-3-carboxamide
CID 106129706
2-ethyl-N-(5-iodo-2-methylphenyl)furan-3-carboxamide
CID 114150518
2-bromo-N-[3-(chloromethyl)pentan-3-yl]furan-3-carboxamide
CID 106856134
N-(2-cyanocyclopentyl)-2-ethylfuran-3-carboxamide
CID 114103038
N-(azepan-3-yl)-2-ethylfuran-3-carboxamide
CID 114103336
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-phenylfuran-2-carboxamide
CID 107847366
N-(2-amino-4-fluorophenyl)-2-ethylfuran-3-carboxamide
CID 114102845
N-[3-(2-bromoethoxy)propyl]-2-ethylfuran-3-carboxamide
CID 106307543
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-ethyl-6-methylpyridazine-4-carboxamide
CID 107845640
5-bromo-2-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
CID 107846792

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-ethylfuran-3-carboxamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-ethylfuran-3-carboxamide (CID 114103218) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-ethylfuran-3-carboxamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-ethylfuran-3-carboxamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-ethylfuran-3-carboxamide is CCc1occc1C(=O)NC(CO)(CO)CO.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-ethylfuran-3-carboxamide?
The InChIKey is MUHLCGDBEFGMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c1-2-9-8(3-4-17-9)10(16)12-11(5-13,6-14)7-15/h3-4,13-15H,2,5-7H2,1H3,(H,12,16).
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-ethylfuran-3-carboxamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-ethylfuran-3-carboxamide has a molecular weight of 243.26 g/mol, XLogP of -0.71, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-ethylfuran-3-carboxamide is sourced from PubChem (CID 114103218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).