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

C16H15NO3 — CID 81292049

IUPACN-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide
SMILESCCc1cc(C#CCO)ccc1NC(=O)c1ccco1
InChIInChI=1S/C16H15NO3/c1-2-13-11-12(5-3-9-18)7-8-14(13)17-16(19)15-6-4-10-20-15/h4,6-8,10-11,18H,2,9H2,1H3,(H,17,19)
InChIKeyDVTGPPLHOLRURM-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.44
Rot. Bonds3

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

N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide (PubChem CID 81292049) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide
PubChem CID81292049
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC NameN-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide
SMILESCCc1cc(C#CCO)ccc1NC(=O)c1ccco1
InChIInChI=1S/C16H15NO3/c1-2-13-11-12(5-3-9-18)7-8-14(13)17-16(19)15-6-4-10-20-15/h4,6-8,10-11,18H,2,9H2,1H3,(H,17,19)
InChIKeyDVTGPPLHOLRURM-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
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-[4-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide
CID 60803102
N-(2-ethylphenyl)furan-2-carboxamide
CID 763274
N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]-5-methylthiophene-2-carboxamide
CID 81287512
N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylpentanamide
CID 81292394
N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]heptanamide
CID 114753322
5-ethyl-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]furan-2-carboxamide
CID 79094339
N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]-1-methylcyclopentane-1-carboxamide
CID 81287490
N-[2-ethyl-4-(4-hydroxybut-1-ynyl)phenyl]-1,2-oxazole-3-carboxamide
CID 81287905
3-[3-ethyl-4-(ethylsulfamoylamino)phenyl]prop-2-yn-1-ol
CID 114812002
N-(3-ethyl-4-methoxyphenyl)furan-2-carboxamide
CID 110777193
3-[3-ethyl-4-(propylsulfamoylamino)phenyl]prop-2-yn-1-ol
CID 114812000
5-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]furan-2-carboxamide
CID 60802446

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide (CID 81292049) is N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide is CCc1cc(C#CCO)ccc1NC(=O)c1ccco1.
What is the InChIKey of N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide?
The InChIKey is DVTGPPLHOLRURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-2-13-11-12(5-3-9-18)7-8-14(13)17-16(19)15-6-4-10-20-15/h4,6-8,10-11,18H,2,9H2,1H3,(H,17,19).
What are the key properties of N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide?
N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 81292049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).