N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]furan-3-carboxamide

C16H15NO3 — CID 63334275

IUPACN-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]furan-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccoc2)cc1C#CCCO
InChIInChI=1S/C16H15NO3/c1-12-5-6-15(10-13(12)4-2-3-8-18)17-16(19)14-7-9-20-11-14/h5-7,9-11,18H,3,8H2,1H3,(H,17,19)
InChIKeyJORBTYCPSZVLEL-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.57
Rot. Bonds3

About N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]furan-3-carboxamide

N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]furan-3-carboxamide (PubChem CID 63334275) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]furan-3-carboxamide
PubChem CID63334275
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC NameN-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]furan-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccoc2)cc1C#CCCO
InChIInChI=1S/C16H15NO3/c1-12-5-6-15(10-13(12)4-2-3-8-18)17-16(19)14-7-9-20-11-14/h5-7,9-11,18H,3,8H2,1H3,(H,17,19)
InChIKeyJORBTYCPSZVLEL-UHFFFAOYSA-N
XLogP2.57
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.57
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

N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]furan-3-carboxamide
CID 55202900
2-chloro-N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]furan-3-carboxamide
CID 106688725
ethyl N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]carbamate
CID 55201745
1-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]-3-propylurea
CID 63333834
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]furan-3-carboxamide
CID 104780865
2-tert-butylsulfanyl-N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]acetamide
CID 63334317
N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]-3-methylsulfanylpropanamide
CID 55201169
N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide
CID 62914509
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-4-methylbenzamide
CID 63334244
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]benzamide
CID 63334197
N-[4-methyl-3-(2-methylpropanoylamino)phenyl]furan-3-carboxamide
CID 131948367
N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]oxane-3-carboxamide
CID 63333873

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]furan-3-carboxamide?
The IUPAC name of N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]furan-3-carboxamide (CID 63334275) is N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]furan-3-carboxamide.
What is the SMILES notation for N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]furan-3-carboxamide?
The canonical SMILES for N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]furan-3-carboxamide is Cc1ccc(NC(=O)c2ccoc2)cc1C#CCCO.
What is the InChIKey of N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]furan-3-carboxamide?
The InChIKey is JORBTYCPSZVLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-12-5-6-15(10-13(12)4-2-3-8-18)17-16(19)14-7-9-20-11-14/h5-7,9-11,18H,3,8H2,1H3,(H,17,19).
What are the key properties of N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]furan-3-carboxamide?
N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]furan-3-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]furan-3-carboxamide is sourced from PubChem (CID 63334275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).