5-ethyl-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]furan-2-carboxamide

C17H17NO3 — CID 79094339

IUPAC5-ethyl-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]furan-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2ccc(C#CCO)cc2C)o1
InChIInChI=1S/C17H17NO3/c1-3-14-7-9-16(21-14)17(20)18-15-8-6-13(5-4-10-19)11-12(15)2/h6-9,11,19H,3,10H2,1-2H3,(H,18,20)
InChIKeyBFOYKEBCKWEIPI-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.75
Rot. Bonds3

About 5-ethyl-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]furan-2-carboxamide

5-ethyl-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]furan-2-carboxamide (PubChem CID 79094339) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-ethyl-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]furan-2-carboxamide
PubChem CID79094339
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name5-ethyl-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]furan-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2ccc(C#CCO)cc2C)o1
InChIInChI=1S/C17H17NO3/c1-3-14-7-9-16(21-14)17(20)18-15-8-6-13(5-4-10-19)11-12(15)2/h6-9,11,19H,3,10H2,1-2H3,(H,18,20)
InChIKeyBFOYKEBCKWEIPI-UHFFFAOYSA-N
XLogP2.75
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]furan-2-carboxamide
CID 60802446
4-[(5-ethylfuran-2-carbonyl)amino]-3-methylbenzoic acid
CID 43351217
5-ethyl-N-(2-hydroxy-4-methylphenyl)furan-2-carboxamide
CID 112726930
2-hydroxy-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
CID 60804357
4-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
CID 60804356
N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]thiadiazole-5-carboxamide
CID 65215724
N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide
CID 81292049
3-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
CID 60802449
5-ethyl-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]furan-2-carboxamide
CID 79096364
N-(2-amino-5-methylphenyl)-5-ethylfuran-2-carboxamide
CID 112557315
3-ethoxy-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]propanamide
CID 55091695
5-bromo-2-[(5-ethylfuran-2-carbonyl)amino]benzoic acid
CID 62073783

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of 5-ethyl-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]furan-2-carboxamide (CID 79094339) is 5-ethyl-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for 5-ethyl-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]furan-2-carboxamide is CCc1ccc(C(=O)Nc2ccc(C#CCO)cc2C)o1.
What is the InChIKey of 5-ethyl-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]furan-2-carboxamide?
The InChIKey is BFOYKEBCKWEIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-3-14-7-9-16(21-14)17(20)18-15-8-6-13(5-4-10-19)11-12(15)2/h6-9,11,19H,3,10H2,1-2H3,(H,18,20).
What are the key properties of 5-ethyl-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]furan-2-carboxamide?
5-ethyl-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]furan-2-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 79094339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).