N-[1-(5-methylfuran-2-yl)-3-oxo-3-(3,4,5-trimethoxyanilino)prop-1-en-2-yl]benzamide

C24H24N2O6 — CID 2928877

IUPACN-[1-(5-methylfuran-2-yl)-3-oxo-3-(3,4,5-trimethoxyanilino)prop-1-en-2-yl]benzamide
SMILESCOc1cc(NC(=O)C(=Cc2ccc(C)o2)NC(=O)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C24H24N2O6/c1-15-10-11-18(32-15)14-19(26-23(27)16-8-6-5-7-9-16)24(28)25-17-12-20(29-2)22(31-4)21(13-17)30-3/h5-14H,1-4H3,(H,25,28)(H,26,27)
InChIKeyAFRYEDBXMSNZDI-UHFFFAOYSA-N
MW436.46 g/mol
LogP4.02
Rot. Bonds8

About N-[1-(5-methylfuran-2-yl)-3-oxo-3-(3,4,5-trimethoxyanilino)prop-1-en-2-yl]benzamide

N-[1-(5-methylfuran-2-yl)-3-oxo-3-(3,4,5-trimethoxyanilino)prop-1-en-2-yl]benzamide (PubChem CID 2928877) has the molecular formula C24H24N2O6 and a molecular weight of 436.46 g/mol. Its IUPAC name is N-[1-(5-methylfuran-2-yl)-3-oxo-3-(3,4,5-trimethoxyanilino)prop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-(5-methylfuran-2-yl)-3-oxo-3-(3,4,5-trimethoxyanilino)prop-1-en-2-yl]benzamide
PubChem CID2928877
Molecular FormulaC24H24N2O6
Molecular Weight436.46 g/mol
Exact Mass436.16
IUPAC NameN-[1-(5-methylfuran-2-yl)-3-oxo-3-(3,4,5-trimethoxyanilino)prop-1-en-2-yl]benzamide
SMILESCOc1cc(NC(=O)C(=Cc2ccc(C)o2)NC(=O)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C24H24N2O6/c1-15-10-11-18(32-15)14-19(26-23(27)16-8-6-5-7-9-16)24(28)25-17-12-20(29-2)22(31-4)21(13-17)30-3/h5-14H,1-4H3,(H,25,28)(H,26,27)
InChIKeyAFRYEDBXMSNZDI-UHFFFAOYSA-N
XLogP4.02
TPSA99.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-oxo-3-(3,4,5-trimethoxyanilino)-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-yl]benzamide
CID 3335364
N-[3-(4-methylanilino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 5236171
methyl 2-benzamido-3-(5-methylfuran-2-yl)prop-2-enoate
CID 2874468
3-methyl-N-[3-(3-methylanilino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 1359320
N-[1-[5-(4-methylphenyl)furan-2-yl]-3-oxo-3-[(3,4,5-trimethoxyphenyl)methylamino]prop-1-en-2-yl]benzamide
CID 3990191
N-[(Z)-3-(cyclopropylamino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 2176470
N-[(Z)-1-(2,3-dimethoxyphenyl)-3-(4-methylanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 6528832
N-[(Z)-3-(cyclopentylamino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 45035895
N-[(Z)-3-(4-ethoxy-3-methoxyanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 86942231
N-[(Z)-3-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]anilino]-3-oxo-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-yl]benzamide
CID 23094670
N-[(Z)-1-(4-methoxyphenyl)-3-oxo-3-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]anilino]prop-1-en-2-yl]benzamide
CID 22787372
N-[(Z)-3-(4-methoxyanilino)-1-(2-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 2189845

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylfuran-2-yl)-3-oxo-3-(3,4,5-trimethoxyanilino)prop-1-en-2-yl]benzamide?
The IUPAC name of N-[1-(5-methylfuran-2-yl)-3-oxo-3-(3,4,5-trimethoxyanilino)prop-1-en-2-yl]benzamide (CID 2928877) is N-[1-(5-methylfuran-2-yl)-3-oxo-3-(3,4,5-trimethoxyanilino)prop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[1-(5-methylfuran-2-yl)-3-oxo-3-(3,4,5-trimethoxyanilino)prop-1-en-2-yl]benzamide?
The canonical SMILES for N-[1-(5-methylfuran-2-yl)-3-oxo-3-(3,4,5-trimethoxyanilino)prop-1-en-2-yl]benzamide is COc1cc(NC(=O)C(=Cc2ccc(C)o2)NC(=O)c2ccccc2)cc(OC)c1OC.
What is the InChIKey of N-[1-(5-methylfuran-2-yl)-3-oxo-3-(3,4,5-trimethoxyanilino)prop-1-en-2-yl]benzamide?
The InChIKey is AFRYEDBXMSNZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6/c1-15-10-11-18(32-15)14-19(26-23(27)16-8-6-5-7-9-16)24(28)25-17-12-20(29-2)22(31-4)21(13-17)30-3/h5-14H,1-4H3,(H,25,28)(H,26,27).
What are the key properties of N-[1-(5-methylfuran-2-yl)-3-oxo-3-(3,4,5-trimethoxyanilino)prop-1-en-2-yl]benzamide?
N-[1-(5-methylfuran-2-yl)-3-oxo-3-(3,4,5-trimethoxyanilino)prop-1-en-2-yl]benzamide has a molecular weight of 436.46 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylfuran-2-yl)-3-oxo-3-(3,4,5-trimethoxyanilino)prop-1-en-2-yl]benzamide is sourced from PubChem (CID 2928877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).