3-(furan-2-yl)-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]propanamide

C17H17NO3 — CID 60802956

IUPAC3-(furan-2-yl)-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]propanamide
SMILESCc1ccc(NC(=O)CCc2ccco2)c(C#CCO)c1
InChIInChI=1S/C17H17NO3/c1-13-6-8-16(14(12-13)4-2-10-19)18-17(20)9-7-15-5-3-11-21-15/h3,5-6,8,11-12,19H,7,9-10H2,1H3,(H,18,20)
InChIKeyDKUHUMKUKTVLDX-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.50
Rot. Bonds4

About 3-(furan-2-yl)-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]propanamide

3-(furan-2-yl)-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]propanamide (PubChem CID 60802956) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]propanamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]propanamide
PubChem CID60802956
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name3-(furan-2-yl)-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]propanamide
SMILESCc1ccc(NC(=O)CCc2ccco2)c(C#CCO)c1
InChIInChI=1S/C17H17NO3/c1-13-6-8-16(14(12-13)4-2-10-19)18-17(20)9-7-15-5-3-11-21-15/h3,5-6,8,11-12,19H,7,9-10H2,1H3,(H,18,20)
InChIKeyDKUHUMKUKTVLDX-UHFFFAOYSA-N
XLogP2.50
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.50
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

3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]propanamide
CID 60803312
N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-3-methylbutanamide
CID 60804524
N-[2-(furan-2-yl)ethyl]-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide
CID 81112689
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-3-(furan-2-yl)propanamide
CID 60814390
N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-methylpropanamide
CID 60803475
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-4-methylpentanamide
CID 82766423
N-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]-3-(furan-2-yl)propanamide
CID 107578437
N-[2-(furan-2-yl)ethyl]-3-(3-hydroxyprop-1-ynyl)-4-methylbenzamide
CID 81460232
N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-5-methyloxolane-2-carboxamide
CID 81331233
N-(2,3-dichlorophenyl)-3-(furan-2-yl)propanamide
CID 51158824
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]octanamide
CID 82746747
1-ethyl-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]pyrrole-2-carboxamide
CID 60803131

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]propanamide?
The IUPAC name of 3-(furan-2-yl)-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]propanamide (CID 60802956) is 3-(furan-2-yl)-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]propanamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]propanamide?
The canonical SMILES for 3-(furan-2-yl)-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]propanamide is Cc1ccc(NC(=O)CCc2ccco2)c(C#CCO)c1.
What is the InChIKey of 3-(furan-2-yl)-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]propanamide?
The InChIKey is DKUHUMKUKTVLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-13-6-8-16(14(12-13)4-2-10-19)18-17(20)9-7-15-5-3-11-21-15/h3,5-6,8,11-12,19H,7,9-10H2,1H3,(H,18,20).
What are the key properties of 3-(furan-2-yl)-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]propanamide?
3-(furan-2-yl)-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]propanamide has a molecular weight of 283.33 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]propanamide is sourced from PubChem (CID 60802956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).