N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]furan-3-carboxamide

C16H16N2O2 — CID 81292862

IUPACN-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]furan-3-carboxamide
SMILESCCc1cc(C#CCN)ccc1NC(=O)c1ccoc1
InChIInChI=1S/C16H16N2O2/c1-2-13-10-12(4-3-8-17)5-6-15(13)18-16(19)14-7-9-20-11-14/h5-7,9-11H,2,8,17H2,1H3,(H,18,19)
InChIKeyLHHQBYRUFQFOOI-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.40
Rot. Bonds3

About N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]furan-3-carboxamide

N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]furan-3-carboxamide (PubChem CID 81292862) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]furan-3-carboxamide
PubChem CID81292862
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]furan-3-carboxamide
SMILESCCc1cc(C#CCN)ccc1NC(=O)c1ccoc1
InChIInChI=1S/C16H16N2O2/c1-2-13-10-12(4-3-8-17)5-6-15(13)18-16(19)14-7-9-20-11-14/h5-7,9-11H,2,8,17H2,1H3,(H,18,19)
InChIKeyLHHQBYRUFQFOOI-UHFFFAOYSA-N
XLogP2.40
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.40
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-aminoprop-1-ynyl)-2-fluorophenyl]furan-3-carboxamide
CID 60804299
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-5-bromothiophene-3-carboxamide
CID 107964055
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-chlorofuran-3-carboxamide
CID 106688777
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylpropanamide
CID 81292122
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylbutanamide
CID 81292346
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 81288540
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-3-methylimidazole-4-carboxamide
CID 103511844
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-3-methoxypropanamide
CID 81292865
1-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-3-propylurea
CID 81287127
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]pentanamide
CID 81292452
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-4-methylthiadiazole-5-carboxamide
CID 81288310
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]furan-3-carboxamide
CID 55202900

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]furan-3-carboxamide?
The IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]furan-3-carboxamide (CID 81292862) is N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]furan-3-carboxamide.
What is the SMILES notation for N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]furan-3-carboxamide?
The canonical SMILES for N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]furan-3-carboxamide is CCc1cc(C#CCN)ccc1NC(=O)c1ccoc1.
What is the InChIKey of N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]furan-3-carboxamide?
The InChIKey is LHHQBYRUFQFOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-2-13-10-12(4-3-8-17)5-6-15(13)18-16(19)14-7-9-20-11-14/h5-7,9-11H,2,8,17H2,1H3,(H,18,19).
What are the key properties of N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]furan-3-carboxamide?
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]furan-3-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]furan-3-carboxamide is sourced from PubChem (CID 81292862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).