N-[(Z)-3-(2,6-dimethylmorpholin-4-yl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide

C22H26N2O4 — CID 6533531

IUPACN-[(Z)-3-(2,6-dimethylmorpholin-4-yl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N2CC(C)OC(C)C2)cc1C
InChIInChI=1S/C22H26N2O4/c1-14-7-8-18(10-15(14)2)21(25)23-20(11-19-6-5-9-27-19)22(26)24-12-16(3)28-17(4)13-24/h5-11,16-17H,12-13H2,1-4H3,(H,23,25)/b20-11-
InChIKeyVRIPFIWCQGNOED-JAIQZWGSSA-N
MW382.46 g/mol
LogP3.30
Rot. Bonds4

About N-[(Z)-3-(2,6-dimethylmorpholin-4-yl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide

N-[(Z)-3-(2,6-dimethylmorpholin-4-yl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide (PubChem CID 6533531) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[(Z)-3-(2,6-dimethylmorpholin-4-yl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(Z)-3-(2,6-dimethylmorpholin-4-yl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide
PubChem CID6533531
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN-[(Z)-3-(2,6-dimethylmorpholin-4-yl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N2CC(C)OC(C)C2)cc1C
InChIInChI=1S/C22H26N2O4/c1-14-7-8-18(10-15(14)2)21(25)23-20(11-19-6-5-9-27-19)22(26)24-12-16(3)28-17(4)13-24/h5-11,16-17H,12-13H2,1-4H3,(H,23,25)/b20-11-
InChIKeyVRIPFIWCQGNOED-JAIQZWGSSA-N
XLogP3.30
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.30
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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Related Compounds

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N-[2-Furan-2-yl-1-(4-methyl-piperazine-1-carbonyl)-vinyl]-benzamide
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N-[2-Furan-2-yl-1-(4-methyl-piperidine-1-carbonyl)-vinyl]-benzamide
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N-(furan-2-ylmethyl)naphthalene-2-carboxamide
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N-[2-(5-methyl-2-furyl)-1-({[2-(4-morpholinyl)ethyl]amino}carbonyl)vinyl]benzamide
CID 5292081
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CID 5765231
N-[2-phenyl-1-(1-piperidinylcarbonyl)vinyl]-2-furamide
CID 738317
N-(furan-2-ylmethyl)-2,4-dimethylbenzamide
CID 1088346
2-butyl-N-(furan-2-ylmethyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
CID 2667282
N-(furan-2-ylmethyl)-2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carboxamide
CID 2974655

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-(2,6-dimethylmorpholin-4-yl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide?
The IUPAC name of N-[(Z)-3-(2,6-dimethylmorpholin-4-yl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide (CID 6533531) is N-[(Z)-3-(2,6-dimethylmorpholin-4-yl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[(Z)-3-(2,6-dimethylmorpholin-4-yl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[(Z)-3-(2,6-dimethylmorpholin-4-yl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N2CC(C)OC(C)C2)cc1C.
What is the InChIKey of N-[(Z)-3-(2,6-dimethylmorpholin-4-yl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide?
The InChIKey is VRIPFIWCQGNOED-JAIQZWGSSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-14-7-8-18(10-15(14)2)21(25)23-20(11-19-6-5-9-27-19)22(26)24-12-16(3)28-17(4)13-24/h5-11,16-17H,12-13H2,1-4H3,(H,23,25)/b20-11-.
What are the key properties of N-[(Z)-3-(2,6-dimethylmorpholin-4-yl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide?
N-[(Z)-3-(2,6-dimethylmorpholin-4-yl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide has a molecular weight of 382.46 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-(2,6-dimethylmorpholin-4-yl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide is sourced from PubChem (CID 6533531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).