N-[3-morpholin-4-yl-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide

C18H17N3O6 — CID 1163109

IUPACN-[3-morpholin-4-yl-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
SMILESO=C(NC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1)c1ccco1
InChIInChI=1S/C18H17N3O6/c22-17(16-2-1-9-27-16)19-15(18(23)20-7-10-26-11-8-20)12-13-3-5-14(6-4-13)21(24)25/h1-6,9,12H,7-8,10-11H2,(H,19,22)
InChIKeySVAJHNUFWYCBSS-UHFFFAOYSA-N
MW371.35 g/mol
LogP1.82
Rot. Bonds5

About N-[3-morpholin-4-yl-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide

N-[3-morpholin-4-yl-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide (PubChem CID 1163109) has the molecular formula C18H17N3O6 and a molecular weight of 371.35 g/mol. Its IUPAC name is N-[3-morpholin-4-yl-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-morpholin-4-yl-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
PubChem CID1163109
Molecular FormulaC18H17N3O6
Molecular Weight371.35 g/mol
Exact Mass371.11
IUPAC NameN-[3-morpholin-4-yl-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
SMILESO=C(NC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1)c1ccco1
InChIInChI=1S/C18H17N3O6/c22-17(16-2-1-9-27-16)19-15(18(23)20-7-10-26-11-8-20)12-13-3-5-14(6-4-13)21(24)25/h1-6,9,12H,7-8,10-11H2,(H,19,22)
InChIKeySVAJHNUFWYCBSS-UHFFFAOYSA-N
XLogP1.82
TPSA114.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-(4-nitrophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide
CID 24789734
N-[1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 2839706
N-[3-(2-morpholin-4-ylethylamino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 5172232
2-[[2-(furan-2-carbonylamino)-3-(4-nitrophenyl)prop-2-enoyl]amino]acetate
CID 7007049
N-[(E)-3-(4-methylanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 5442613
N-[(E)-3-morpholin-4-yl-3-oxo-1-(3-phenoxyphenyl)prop-1-en-2-yl]-4-nitrobenzamide
CID 1100518
N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide
CID 5448139
(2S)-2-[[(Z)-2-(furan-2-carbonylamino)-3-(4-nitrophenyl)prop-2-enoyl]amino]-3-phenylpropanoic acid
CID 2267738
N-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]furan-2-carboxamide
CID 892483
2-bromo-N-[(E)-3-morpholin-4-yl-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 2245671
N-[(Z)-3-(4-methylpiperazin-4-ium-1-yl)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 7405920
N-[3-morpholin-4-yl-1-[5-(4-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]benzamide
CID 1106740

Frequently Asked Questions

What is the IUPAC name of N-[3-morpholin-4-yl-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The IUPAC name of N-[3-morpholin-4-yl-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide (CID 1163109) is N-[3-morpholin-4-yl-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3-morpholin-4-yl-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[3-morpholin-4-yl-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is O=C(NC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1)c1ccco1.
What is the InChIKey of N-[3-morpholin-4-yl-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The InChIKey is SVAJHNUFWYCBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O6/c22-17(16-2-1-9-27-16)19-15(18(23)20-7-10-26-11-8-20)12-13-3-5-14(6-4-13)21(24)25/h1-6,9,12H,7-8,10-11H2,(H,19,22).
What are the key properties of N-[3-morpholin-4-yl-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
N-[3-morpholin-4-yl-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide has a molecular weight of 371.35 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-morpholin-4-yl-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is sourced from PubChem (CID 1163109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).