N-[2-oxo-2-(3-phenylpropylamino)ethyl]furan-2-carboxamide

C16H18N2O3 — CID 2524355

IUPACN-[2-oxo-2-(3-phenylpropylamino)ethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)NCCCc1ccccc1
InChIInChI=1S/C16H18N2O3/c19-15(12-18-16(20)14-9-5-11-21-14)17-10-4-8-13-6-2-1-3-7-13/h1-3,5-7,9,11H,4,8,10,12H2,(H,17,19)(H,18,20)
InChIKeyFQNDATWZWMJSLQ-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.76
Rot. Bonds7

About N-[2-oxo-2-(3-phenylpropylamino)ethyl]furan-2-carboxamide

N-[2-oxo-2-(3-phenylpropylamino)ethyl]furan-2-carboxamide (PubChem CID 2524355) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[2-oxo-2-(3-phenylpropylamino)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(3-phenylpropylamino)ethyl]furan-2-carboxamide
PubChem CID2524355
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[2-oxo-2-(3-phenylpropylamino)ethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)NCCCc1ccccc1
InChIInChI=1S/C16H18N2O3/c19-15(12-18-16(20)14-9-5-11-21-14)17-10-4-8-13-6-2-1-3-7-13/h1-3,5-7,9,11H,4,8,10,12H2,(H,17,19)(H,18,20)
InChIKeyFQNDATWZWMJSLQ-UHFFFAOYSA-N
XLogP1.76
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[[2-(furan-2-carbonylamino)acetyl]amino]heptanoic acid
CID 43358988
N-[2-[[2-[(4-phenylbenzoyl)amino]acetyl]amino]ethyl]furan-2-carboxamide
CID 33191879
2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(3-phenylpropyl)acetamide
CID 8696124
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
2-fluoro-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide
CID 2463726
N-[2-oxo-2-(phenylmethoxyamino)ethyl]furan-2-carboxamide
CID 9227365
N-[2-(2,2-dibenzylhydrazinyl)-2-oxoethyl]furan-2-carboxamide
CID 9293667
4-[[2-(furan-2-carbonylamino)acetyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66003494
N-[2-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]-2-oxoethyl]furan-2-carboxamide
CID 9162978
2-(2-hydroxyethylamino)-N-(3-phenylpropyl)acetamide
CID 163571162
N-[2-[(2-chloroacetyl)amino]ethyl]furan-2-carboxamide
CID 108571159
N-[2-[2-(benzylcarbamothioyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 7977704

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(3-phenylpropylamino)ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-oxo-2-(3-phenylpropylamino)ethyl]furan-2-carboxamide (CID 2524355) is N-[2-oxo-2-(3-phenylpropylamino)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-oxo-2-(3-phenylpropylamino)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-oxo-2-(3-phenylpropylamino)ethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccco1)NCCCc1ccccc1.
What is the InChIKey of N-[2-oxo-2-(3-phenylpropylamino)ethyl]furan-2-carboxamide?
The InChIKey is FQNDATWZWMJSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-15(12-18-16(20)14-9-5-11-21-14)17-10-4-8-13-6-2-1-3-7-13/h1-3,5-7,9,11H,4,8,10,12H2,(H,17,19)(H,18,20).
What are the key properties of N-[2-oxo-2-(3-phenylpropylamino)ethyl]furan-2-carboxamide?
N-[2-oxo-2-(3-phenylpropylamino)ethyl]furan-2-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(3-phenylpropylamino)ethyl]furan-2-carboxamide is sourced from PubChem (CID 2524355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).