N-[(Z)-1-(furan-2-yl)-3-(3-imidazol-1-ylpropylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide

C18H18N4O4 — CID 7317256

IUPACN-[(Z)-1-(furan-2-yl)-3-(3-imidazol-1-ylpropylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
SMILESO=C(NCCCn1ccnc1)/C(=C/c1ccco1)NC(=O)c1ccco1
InChIInChI=1S/C18H18N4O4/c23-17(20-6-3-8-22-9-7-19-13-22)15(12-14-4-1-10-25-14)21-18(24)16-5-2-11-26-16/h1-2,4-5,7,9-13H,3,6,8H2,(H,20,23)(H,21,24)/b15-12-
InChIKeyAUSJDCOUGIIBBY-QINSGFPZSA-N
MW354.37 g/mol
LogP2.05
Rot. Bonds8

About N-[(Z)-1-(furan-2-yl)-3-(3-imidazol-1-ylpropylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide

N-[(Z)-1-(furan-2-yl)-3-(3-imidazol-1-ylpropylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide (PubChem CID 7317256) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is N-[(Z)-1-(furan-2-yl)-3-(3-imidazol-1-ylpropylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(furan-2-yl)-3-(3-imidazol-1-ylpropylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
PubChem CID7317256
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC NameN-[(Z)-1-(furan-2-yl)-3-(3-imidazol-1-ylpropylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
SMILESO=C(NCCCn1ccnc1)/C(=C/c1ccco1)NC(=O)c1ccco1
InChIInChI=1S/C18H18N4O4/c23-17(20-6-3-8-22-9-7-19-13-22)15(12-14-4-1-10-25-14)21-18(24)16-5-2-11-26-16/h1-2,4-5,7,9-13H,3,6,8H2,(H,20,23)(H,21,24)/b15-12-
InChIKeyAUSJDCOUGIIBBY-QINSGFPZSA-N
XLogP2.05
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(furan-2-yl)-3-(3-imidazol-1-ylpropylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(Z)-1-(furan-2-yl)-3-(3-imidazol-1-ylpropylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide (CID 7317256) is N-[(Z)-1-(furan-2-yl)-3-(3-imidazol-1-ylpropylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(Z)-1-(furan-2-yl)-3-(3-imidazol-1-ylpropylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(Z)-1-(furan-2-yl)-3-(3-imidazol-1-ylpropylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is O=C(NCCCn1ccnc1)/C(=C/c1ccco1)NC(=O)c1ccco1.
What is the InChIKey of N-[(Z)-1-(furan-2-yl)-3-(3-imidazol-1-ylpropylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The InChIKey is AUSJDCOUGIIBBY-QINSGFPZSA-N. The full InChI is InChI=1S/C18H18N4O4/c23-17(20-6-3-8-22-9-7-19-13-22)15(12-14-4-1-10-25-14)21-18(24)16-5-2-11-26-16/h1-2,4-5,7,9-13H,3,6,8H2,(H,20,23)(H,21,24)/b15-12-.
What are the key properties of N-[(Z)-1-(furan-2-yl)-3-(3-imidazol-1-ylpropylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
N-[(Z)-1-(furan-2-yl)-3-(3-imidazol-1-ylpropylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(furan-2-yl)-3-(3-imidazol-1-ylpropylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is sourced from PubChem (CID 7317256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).