N-[3-(4-acetylphenyl)prop-2-ynyl]furan-2-carboxamide

C16H13NO3 — CID 90549562

IUPACN-[3-(4-acetylphenyl)prop-2-ynyl]furan-2-carboxamide
SMILESCC(=O)c1ccc(C#CCNC(=O)c2ccco2)cc1
InChIInChI=1S/C16H13NO3/c1-12(18)14-8-6-13(7-9-14)4-2-10-17-16(19)15-5-3-11-20-15/h3,5-9,11H,10H2,1H3,(H,17,19)
InChIKeyZVJJJLDXISWRNQ-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.26
Rot. Bonds3

About N-[3-(4-acetylphenyl)prop-2-ynyl]furan-2-carboxamide

N-[3-(4-acetylphenyl)prop-2-ynyl]furan-2-carboxamide (PubChem CID 90549562) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is N-[3-(4-acetylphenyl)prop-2-ynyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-acetylphenyl)prop-2-ynyl]furan-2-carboxamide
PubChem CID90549562
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC NameN-[3-(4-acetylphenyl)prop-2-ynyl]furan-2-carboxamide
SMILESCC(=O)c1ccc(C#CCNC(=O)c2ccco2)cc1
InChIInChI=1S/C16H13NO3/c1-12(18)14-8-6-13(7-9-14)4-2-10-17-16(19)15-5-3-11-20-15/h3,5-9,11H,10H2,1H3,(H,17,19)
InChIKeyZVJJJLDXISWRNQ-UHFFFAOYSA-N
XLogP2.26
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[3-(4-acetylphenyl)prop-2-ynyl]-3-(furan-2-yl)prop-2-enamide
CID 90549391
N-[1-oxo-3-phenyl-1-(3-phenylprop-2-ynylamino)propan-2-yl]furan-2-carboxamide
CID 51332524
N-[4-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide
CID 60803102
[2-(furan-2-carbonylamino)-2-oxoethyl] 2-(4-acetylphenoxy)acetate
CID 24558117
N-pent-3-ynylfuran-2-carboxamide
CID 115977286
N-[3-(4-acetylphenyl)prop-2-ynyl]methanesulfonamide
CID 90553313
N-[2-[(4-ethylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 134052250
N-[4-[[[4-(2-phenylethynyl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 24618603
N-[3-(4-acetylphenyl)prop-2-ynyl]-2-(2-methylphenoxy)acetamide
CID 90549535
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-[4-(3-bromophenoxy)but-2-ynyl]furan-2-carboxamide
CID 90576539
N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide
CID 81292049

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-acetylphenyl)prop-2-ynyl]furan-2-carboxamide?
The IUPAC name of N-[3-(4-acetylphenyl)prop-2-ynyl]furan-2-carboxamide (CID 90549562) is N-[3-(4-acetylphenyl)prop-2-ynyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(4-acetylphenyl)prop-2-ynyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(4-acetylphenyl)prop-2-ynyl]furan-2-carboxamide is CC(=O)c1ccc(C#CCNC(=O)c2ccco2)cc1.
What is the InChIKey of N-[3-(4-acetylphenyl)prop-2-ynyl]furan-2-carboxamide?
The InChIKey is ZVJJJLDXISWRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-12(18)14-8-6-13(7-9-14)4-2-10-17-16(19)15-5-3-11-20-15/h3,5-9,11H,10H2,1H3,(H,17,19).
What are the key properties of N-[3-(4-acetylphenyl)prop-2-ynyl]furan-2-carboxamide?
N-[3-(4-acetylphenyl)prop-2-ynyl]furan-2-carboxamide has a molecular weight of 267.28 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-acetylphenyl)prop-2-ynyl]furan-2-carboxamide is sourced from PubChem (CID 90549562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).