N-[3-hydroxy-4-(3-phenylpropanoylamino)phenyl]furan-2-carboxamide

C20H18N2O4 — CID 17359487

IUPACN-[3-hydroxy-4-(3-phenylpropanoylamino)phenyl]furan-2-carboxamide
SMILESO=C(CCc1ccccc1)Nc1ccc(NC(=O)c2ccco2)cc1O
InChIInChI=1S/C20H18N2O4/c23-17-13-15(21-20(25)18-7-4-12-26-18)9-10-16(17)22-19(24)11-8-14-5-2-1-3-6-14/h1-7,9-10,12-13,23H,8,11H2,(H,21,25)(H,22,24)
InChIKeyCLTYSPLCXYTBHE-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.81
Rot. Bonds6

About N-[3-hydroxy-4-(3-phenylpropanoylamino)phenyl]furan-2-carboxamide

N-[3-hydroxy-4-(3-phenylpropanoylamino)phenyl]furan-2-carboxamide (PubChem CID 17359487) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is N-[3-hydroxy-4-(3-phenylpropanoylamino)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-hydroxy-4-(3-phenylpropanoylamino)phenyl]furan-2-carboxamide
PubChem CID17359487
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC NameN-[3-hydroxy-4-(3-phenylpropanoylamino)phenyl]furan-2-carboxamide
SMILESO=C(CCc1ccccc1)Nc1ccc(NC(=O)c2ccco2)cc1O
InChIInChI=1S/C20H18N2O4/c23-17-13-15(21-20(25)18-7-4-12-26-18)9-10-16(17)22-19(24)11-8-14-5-2-1-3-6-14/h1-7,9-10,12-13,23H,8,11H2,(H,21,25)(H,22,24)
InChIKeyCLTYSPLCXYTBHE-UHFFFAOYSA-N
XLogP3.81
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[3-(4-fluorophenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 18272984
N-[4-[(3-phenylpropanoylamino)methyl]phenyl]furan-2-carboxamide
CID 42017934
N-[4-[3-(4-ethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55500727
N-[3-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 3164150
N-[3-chloro-4-[(2-phenylacetyl)amino]phenyl]furan-2-carboxamide
CID 3132085
N-[2,5-diethoxy-4-(3-phenylpropanoylamino)phenyl]furan-2-carboxamide
CID 1441351
3-hydroxy-4-(3-phenylpropanoylamino)benzoic acid
CID 60826360
N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]furan-2-carboxamide
CID 17233679
N-[3-chloro-4-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide
CID 1234574
N-[4-[3-(3,5-dimethoxyphenyl)propanoylamino]phenyl]furan-2-carboxamide
CID 42014719
N-(2-hydroxyphenyl)furan-2-carboxamide
CID 761889
2-phenylethyl 4-[3-(furan-2-carbonylamino)anilino]-4-oxobutanoate
CID 26169071

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-4-(3-phenylpropanoylamino)phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-hydroxy-4-(3-phenylpropanoylamino)phenyl]furan-2-carboxamide (CID 17359487) is N-[3-hydroxy-4-(3-phenylpropanoylamino)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-hydroxy-4-(3-phenylpropanoylamino)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-hydroxy-4-(3-phenylpropanoylamino)phenyl]furan-2-carboxamide is O=C(CCc1ccccc1)Nc1ccc(NC(=O)c2ccco2)cc1O.
What is the InChIKey of N-[3-hydroxy-4-(3-phenylpropanoylamino)phenyl]furan-2-carboxamide?
The InChIKey is CLTYSPLCXYTBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c23-17-13-15(21-20(25)18-7-4-12-26-18)9-10-16(17)22-19(24)11-8-14-5-2-1-3-6-14/h1-7,9-10,12-13,23H,8,11H2,(H,21,25)(H,22,24).
What are the key properties of N-[3-hydroxy-4-(3-phenylpropanoylamino)phenyl]furan-2-carboxamide?
N-[3-hydroxy-4-(3-phenylpropanoylamino)phenyl]furan-2-carboxamide has a molecular weight of 350.37 g/mol, XLogP of 3.81, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-4-(3-phenylpropanoylamino)phenyl]furan-2-carboxamide is sourced from PubChem (CID 17359487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).