N-[1-oxo-3-phenyl-1-(3-phenylprop-2-ynylamino)propan-2-yl]furan-2-carboxamide

C23H20N2O3 — CID 51332524

IUPACN-[1-oxo-3-phenyl-1-(3-phenylprop-2-ynylamino)propan-2-yl]furan-2-carboxamide
SMILESO=C(NC(Cc1ccccc1)C(=O)NCC#Cc1ccccc1)c1ccco1
InChIInChI=1S/C23H20N2O3/c26-22(24-15-7-13-18-9-3-1-4-10-18)20(17-19-11-5-2-6-12-19)25-23(27)21-14-8-16-28-21/h1-6,8-12,14,16,20H,15,17H2,(H,24,26)(H,25,27)
InChIKeyPWVPQABBIMHPJX-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.79
Rot. Bonds6

About N-[1-oxo-3-phenyl-1-(3-phenylprop-2-ynylamino)propan-2-yl]furan-2-carboxamide

N-[1-oxo-3-phenyl-1-(3-phenylprop-2-ynylamino)propan-2-yl]furan-2-carboxamide (PubChem CID 51332524) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-[1-oxo-3-phenyl-1-(3-phenylprop-2-ynylamino)propan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-3-phenyl-1-(3-phenylprop-2-ynylamino)propan-2-yl]furan-2-carboxamide
PubChem CID51332524
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC NameN-[1-oxo-3-phenyl-1-(3-phenylprop-2-ynylamino)propan-2-yl]furan-2-carboxamide
SMILESO=C(NC(Cc1ccccc1)C(=O)NCC#Cc1ccccc1)c1ccco1
InChIInChI=1S/C23H20N2O3/c26-22(24-15-7-13-18-9-3-1-4-10-18)20(17-19-11-5-2-6-12-19)25-23(27)21-14-8-16-28-21/h1-6,8-12,14,16,20H,15,17H2,(H,24,26)(H,25,27)
InChIKeyPWVPQABBIMHPJX-UHFFFAOYSA-N
XLogP2.79
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.79
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-[(2S)-1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]furan-2-carboxamide
CID 30600892
N-[1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 71934697
N-[(2R)-1-[2-(2-methylpropanoylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 31011970
2-[[(2S)-2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]acetic acid
CID 124704803
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 119629009
2-[2-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]ethylsulfanyl]acetic acid
CID 119241703
N-[1-(5-methylhexan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 78768077
N-[1-[(2-methyl-2-phenylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 55612800
N-[1-[(1-hydroxycyclobutyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 111445302
3-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid
CID 119220848
2-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid
CID 119223465
N-[1-[(5-ethylthiophen-2-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46476107

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-3-phenyl-1-(3-phenylprop-2-ynylamino)propan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-oxo-3-phenyl-1-(3-phenylprop-2-ynylamino)propan-2-yl]furan-2-carboxamide (CID 51332524) is N-[1-oxo-3-phenyl-1-(3-phenylprop-2-ynylamino)propan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-oxo-3-phenyl-1-(3-phenylprop-2-ynylamino)propan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-oxo-3-phenyl-1-(3-phenylprop-2-ynylamino)propan-2-yl]furan-2-carboxamide is O=C(NC(Cc1ccccc1)C(=O)NCC#Cc1ccccc1)c1ccco1.
What is the InChIKey of N-[1-oxo-3-phenyl-1-(3-phenylprop-2-ynylamino)propan-2-yl]furan-2-carboxamide?
The InChIKey is PWVPQABBIMHPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c26-22(24-15-7-13-18-9-3-1-4-10-18)20(17-19-11-5-2-6-12-19)25-23(27)21-14-8-16-28-21/h1-6,8-12,14,16,20H,15,17H2,(H,24,26)(H,25,27).
What are the key properties of N-[1-oxo-3-phenyl-1-(3-phenylprop-2-ynylamino)propan-2-yl]furan-2-carboxamide?
N-[1-oxo-3-phenyl-1-(3-phenylprop-2-ynylamino)propan-2-yl]furan-2-carboxamide has a molecular weight of 372.42 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-3-phenyl-1-(3-phenylprop-2-ynylamino)propan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 51332524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).