N-[(Z)-3-[(3,4-dimethoxyphenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide

C25H26N2O7 — CID 100556742

IUPACN-[(Z)-3-[(3,4-dimethoxyphenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(CNC(=O)/C(=C/c2ccco2)NC(=O)c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C25H26N2O7/c1-30-20-9-7-16(12-22(20)32-3)15-26-25(29)19(14-18-6-5-11-34-18)27-24(28)17-8-10-21(31-2)23(13-17)33-4/h5-14H,15H2,1-4H3,(H,26,29)(H,27,28)/b19-14-
InChIKeyYIRYZWBXKYJJJA-RGEXLXHISA-N
MW466.49 g/mol
LogP3.40
Rot. Bonds10

About N-[(Z)-3-[(3,4-dimethoxyphenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide

N-[(Z)-3-[(3,4-dimethoxyphenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide (PubChem CID 100556742) has the molecular formula C25H26N2O7 and a molecular weight of 466.49 g/mol. Its IUPAC name is N-[(Z)-3-[(3,4-dimethoxyphenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-3-[(3,4-dimethoxyphenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide
PubChem CID100556742
Molecular FormulaC25H26N2O7
Molecular Weight466.49 g/mol
Exact Mass466.17
IUPAC NameN-[(Z)-3-[(3,4-dimethoxyphenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(CNC(=O)/C(=C/c2ccco2)NC(=O)c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C25H26N2O7/c1-30-20-9-7-16(12-22(20)32-3)15-26-25(29)19(14-18-6-5-11-34-18)27-24(28)17-8-10-21(31-2)23(13-17)33-4/h5-14H,15H2,1-4H3,(H,26,29)(H,27,28)/b19-14-
InChIKeyYIRYZWBXKYJJJA-RGEXLXHISA-N
XLogP3.40
TPSA108.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(3,4-dimethoxyphenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide
CID 3350316
N-[(Z)-1-(furan-2-yl)-3-[(4-imidazol-1-ylphenyl)methylamino]-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide
CID 100765648
N-[(Z)-3-[2-(4-ethylphenoxy)ethylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide
CID 100557865
N-[(Z)-1-(furan-2-yl)-3-[(4-methylphenyl)methylamino]-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 100587585
N-[(Z)-1-(furan-2-yl)-3-[(4-methylphenyl)methylamino]-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 2131809
3-[[[(Z)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]methyl]-N-methylbenzamide
CID 86942349
N-[3-[(2,4-dimethoxyphenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 103599492
N-[1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-3-methoxybenzamide
CID 76532197
N-[(Z)-1-(furan-2-yl)-3-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methylamino]-3-oxoprop-1-en-2-yl]benzamide
CID 86942587
N-[(Z)-3-[1-(2,4-dimethylphenyl)propylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide
CID 133201745
N-[(Z)-3-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide
CID 100755569
N-[3-[(4-chlorophenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 4521478

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-[(3,4-dimethoxyphenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[(Z)-3-[(3,4-dimethoxyphenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide (CID 100556742) is N-[(Z)-3-[(3,4-dimethoxyphenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[(Z)-3-[(3,4-dimethoxyphenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[(Z)-3-[(3,4-dimethoxyphenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide is COc1ccc(CNC(=O)/C(=C/c2ccco2)NC(=O)c2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of N-[(Z)-3-[(3,4-dimethoxyphenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide?
The InChIKey is YIRYZWBXKYJJJA-RGEXLXHISA-N. The full InChI is InChI=1S/C25H26N2O7/c1-30-20-9-7-16(12-22(20)32-3)15-26-25(29)19(14-18-6-5-11-34-18)27-24(28)17-8-10-21(31-2)23(13-17)33-4/h5-14H,15H2,1-4H3,(H,26,29)(H,27,28)/b19-14-.
What are the key properties of N-[(Z)-3-[(3,4-dimethoxyphenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide?
N-[(Z)-3-[(3,4-dimethoxyphenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide has a molecular weight of 466.49 g/mol, XLogP of 3.40, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-[(3,4-dimethoxyphenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 100556742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).