N-[3-oxo-1-phenyl-3-(prop-2-enylamino)prop-1-en-2-yl]furan-2-carboxamide

C17H16N2O3 — CID 2885271

IUPACN-[3-oxo-1-phenyl-3-(prop-2-enylamino)prop-1-en-2-yl]furan-2-carboxamide
SMILESC=CCNC(=O)C(=Cc1ccccc1)NC(=O)c1ccco1
InChIInChI=1S/C17H16N2O3/c1-2-10-18-16(20)14(12-13-7-4-3-5-8-13)19-17(21)15-9-6-11-22-15/h2-9,11-12H,1,10H2,(H,18,20)(H,19,21)
InChIKeyXOHYESRCMYIOGB-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.35
Rot. Bonds6

About N-[3-oxo-1-phenyl-3-(prop-2-enylamino)prop-1-en-2-yl]furan-2-carboxamide

N-[3-oxo-1-phenyl-3-(prop-2-enylamino)prop-1-en-2-yl]furan-2-carboxamide (PubChem CID 2885271) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[3-oxo-1-phenyl-3-(prop-2-enylamino)prop-1-en-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-1-phenyl-3-(prop-2-enylamino)prop-1-en-2-yl]furan-2-carboxamide
PubChem CID2885271
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC NameN-[3-oxo-1-phenyl-3-(prop-2-enylamino)prop-1-en-2-yl]furan-2-carboxamide
SMILESC=CCNC(=O)C(=Cc1ccccc1)NC(=O)c1ccco1
InChIInChI=1S/C17H16N2O3/c1-2-10-18-16(20)14(12-13-7-4-3-5-8-13)19-17(21)15-9-6-11-22-15/h2-9,11-12H,1,10H2,(H,18,20)(H,19,21)
InChIKeyXOHYESRCMYIOGB-UHFFFAOYSA-N
XLogP2.35
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-3-(furan-2-ylmethylamino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide
CID 2270670
4-[[2-(furan-2-carbonylamino)-3-phenylprop-2-enoyl]amino]butanoic acid
CID 2885296
N-[3-(4-chloroanilino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide
CID 4585499
N-(prop-2-enylcarbamothioyl)furan-2-carboxamide
CID 2294785
N-[1-(4-bromophenyl)-3-(ethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 2918548
[4-[(E)-3-(benzylamino)-2-(furan-2-carbonylamino)-3-oxoprop-1-enyl]phenyl] acetate
CID 1134915
2-[[2-(furan-2-carbonylamino)-3-phenylprop-2-enoyl]amino]-4-methylpentanoic acid
CID 2885582
N-[1-[4-(dimethylamino)phenyl]-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]benzamide
CID 3093528
N-[3-(3-chloroanilino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide
CID 2945780
N-[1-(4-bromophenyl)-3-(3-hydroxypropylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 3126181
2-[[2-(furan-2-carbonylamino)-3-(4-nitrophenyl)prop-2-enoyl]amino]acetate
CID 7007049
(2S)-2-[[(E)-2-(furan-2-carbonylamino)-3-phenylprop-2-enoyl]amino]-4-methylsulfanylbutanoate
CID 7261460

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-1-phenyl-3-(prop-2-enylamino)prop-1-en-2-yl]furan-2-carboxamide?
The IUPAC name of N-[3-oxo-1-phenyl-3-(prop-2-enylamino)prop-1-en-2-yl]furan-2-carboxamide (CID 2885271) is N-[3-oxo-1-phenyl-3-(prop-2-enylamino)prop-1-en-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3-oxo-1-phenyl-3-(prop-2-enylamino)prop-1-en-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[3-oxo-1-phenyl-3-(prop-2-enylamino)prop-1-en-2-yl]furan-2-carboxamide is C=CCNC(=O)C(=Cc1ccccc1)NC(=O)c1ccco1.
What is the InChIKey of N-[3-oxo-1-phenyl-3-(prop-2-enylamino)prop-1-en-2-yl]furan-2-carboxamide?
The InChIKey is XOHYESRCMYIOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-2-10-18-16(20)14(12-13-7-4-3-5-8-13)19-17(21)15-9-6-11-22-15/h2-9,11-12H,1,10H2,(H,18,20)(H,19,21).
What are the key properties of N-[3-oxo-1-phenyl-3-(prop-2-enylamino)prop-1-en-2-yl]furan-2-carboxamide?
N-[3-oxo-1-phenyl-3-(prop-2-enylamino)prop-1-en-2-yl]furan-2-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-1-phenyl-3-(prop-2-enylamino)prop-1-en-2-yl]furan-2-carboxamide is sourced from PubChem (CID 2885271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).