2-ethyl-N-[4-(hydroxymethyl)phenyl]furan-3-carboxamide

C14H15NO3 — CID 114103175

IUPAC2-ethyl-N-[4-(hydroxymethyl)phenyl]furan-3-carboxamide
SMILESCCc1occc1C(=O)Nc1ccc(CO)cc1
InChIInChI=1S/C14H15NO3/c1-2-13-12(7-8-18-13)14(17)15-11-5-3-10(9-16)4-6-11/h3-8,16H,2,9H2,1H3,(H,15,17)
InChIKeyJITOXUNXNSLUEK-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.59
Rot. Bonds4

About 2-ethyl-N-[4-(hydroxymethyl)phenyl]furan-3-carboxamide

2-ethyl-N-[4-(hydroxymethyl)phenyl]furan-3-carboxamide (PubChem CID 114103175) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-ethyl-N-[4-(hydroxymethyl)phenyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[4-(hydroxymethyl)phenyl]furan-3-carboxamide
PubChem CID114103175
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name2-ethyl-N-[4-(hydroxymethyl)phenyl]furan-3-carboxamide
SMILESCCc1occc1C(=O)Nc1ccc(CO)cc1
InChIInChI=1S/C14H15NO3/c1-2-13-12(7-8-18-13)14(17)15-11-5-3-10(9-16)4-6-11/h3-8,16H,2,9H2,1H3,(H,15,17)
InChIKeyJITOXUNXNSLUEK-UHFFFAOYSA-N
XLogP2.59
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-ethylfuran-3-carboxamide
CID 114103218
5-ethyl-N-[4-(hydroxymethyl)phenyl]furan-2-carboxamide
CID 64793917
5-ethyl-N-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 64793569
N-(4-ethylphenyl)-3-methylfuran-2-carboxamide
CID 18106134
N-(2-amino-4-fluorophenyl)-2-ethylfuran-3-carboxamide
CID 114102845
2-bromo-N-[4-(hydroxymethyl)phenyl]benzamide
CID 64792802
3-[4-[(2-methylfuran-3-carbonyl)amino]phenyl]propanoic acid
CID 29261712
2-fluoro-N-[4-(hydroxymethyl)phenyl]-3-methylbenzamide
CID 81477426
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-methylfuran-3-carboxamide
CID 60804499
N-[4-(hydroxymethyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 103895193
2-bromo-N-[4-(hydroxymethyl)phenyl]-5-methylbenzamide
CID 81112261
N-[4-(hydroxymethyl)phenyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104671138

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[4-(hydroxymethyl)phenyl]furan-3-carboxamide?
The IUPAC name of 2-ethyl-N-[4-(hydroxymethyl)phenyl]furan-3-carboxamide (CID 114103175) is 2-ethyl-N-[4-(hydroxymethyl)phenyl]furan-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[4-(hydroxymethyl)phenyl]furan-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[4-(hydroxymethyl)phenyl]furan-3-carboxamide is CCc1occc1C(=O)Nc1ccc(CO)cc1.
What is the InChIKey of 2-ethyl-N-[4-(hydroxymethyl)phenyl]furan-3-carboxamide?
The InChIKey is JITOXUNXNSLUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-2-13-12(7-8-18-13)14(17)15-11-5-3-10(9-16)4-6-11/h3-8,16H,2,9H2,1H3,(H,15,17).
What are the key properties of 2-ethyl-N-[4-(hydroxymethyl)phenyl]furan-3-carboxamide?
2-ethyl-N-[4-(hydroxymethyl)phenyl]furan-3-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[4-(hydroxymethyl)phenyl]furan-3-carboxamide is sourced from PubChem (CID 114103175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).