N-[(Z)-1-(furan-2-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide

C20H22N2O4 — CID 6537004

IUPACN-[(Z)-1-(furan-2-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N2CCOCC2)cc1C
InChIInChI=1S/C20H22N2O4/c1-14-5-6-16(12-15(14)2)19(23)21-18(13-17-4-3-9-26-17)20(24)22-7-10-25-11-8-22/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,21,23)/b18-13-
InChIKeyRRBWPLLRXHWHBZ-AQTBWJFISA-N
MW354.41 g/mol
LogP2.53
Rot. Bonds4

About N-[(Z)-1-(furan-2-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide

N-[(Z)-1-(furan-2-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide (PubChem CID 6537004) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[(Z)-1-(furan-2-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(furan-2-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide
PubChem CID6537004
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-[(Z)-1-(furan-2-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N2CCOCC2)cc1C
InChIInChI=1S/C20H22N2O4/c1-14-5-6-16(12-15(14)2)19(23)21-18(13-17-4-3-9-26-17)20(24)22-7-10-25-11-8-22/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,21,23)/b18-13-
InChIKeyRRBWPLLRXHWHBZ-AQTBWJFISA-N
XLogP2.53
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-morpholin-4-yl-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide?
The IUPAC name of N-[(Z)-1-(furan-2-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide (CID 6537004) is N-[(Z)-1-(furan-2-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[(Z)-1-(furan-2-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[(Z)-1-(furan-2-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N2CCOCC2)cc1C.
What is the InChIKey of N-[(Z)-1-(furan-2-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide?
The InChIKey is RRBWPLLRXHWHBZ-AQTBWJFISA-N. The full InChI is InChI=1S/C20H22N2O4/c1-14-5-6-16(12-15(14)2)19(23)21-18(13-17-4-3-9-26-17)20(24)22-7-10-25-11-8-22/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,21,23)/b18-13-.
What are the key properties of N-[(Z)-1-(furan-2-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide?
N-[(Z)-1-(furan-2-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide has a molecular weight of 354.41 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(furan-2-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide is sourced from PubChem (CID 6537004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).