3,4-dimethoxy-N-(4-methoxyphenyl)-5-[[(E)-3-phenylprop-2-enoyl]amino]benzamide

C25H24N2O5 — CID 5472388

IUPAC3,4-dimethoxy-N-(4-methoxyphenyl)-5-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
SMILESCOc1ccc(NC(=O)c2cc(NC(=O)/C=C/c3ccccc3)c(OC)c(OC)c2)cc1
InChIInChI=1S/C25H24N2O5/c1-30-20-12-10-19(11-13-20)26-25(29)18-15-21(24(32-3)22(16-18)31-2)27-23(28)14-9-17-7-5-4-6-8-17/h4-16H,1-3H3,(H,26,29)(H,27,28)/b14-9+
InChIKeyCMPPFKJTLMRARR-NTEUORMPSA-N
MW432.48 g/mol
LogP4.62
Rot. Bonds8

About 3,4-dimethoxy-N-(4-methoxyphenyl)-5-[[(E)-3-phenylprop-2-enoyl]amino]benzamide

3,4-dimethoxy-N-(4-methoxyphenyl)-5-[[(E)-3-phenylprop-2-enoyl]amino]benzamide (PubChem CID 5472388) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(4-methoxyphenyl)-5-[[(E)-3-phenylprop-2-enoyl]amino]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(4-methoxyphenyl)-5-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
PubChem CID5472388
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC Name3,4-dimethoxy-N-(4-methoxyphenyl)-5-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
SMILESCOc1ccc(NC(=O)c2cc(NC(=O)/C=C/c3ccccc3)c(OC)c(OC)c2)cc1
InChIInChI=1S/C25H24N2O5/c1-30-20-12-10-19(11-13-20)26-25(29)18-15-21(24(32-3)22(16-18)31-2)27-23(28)14-9-17-7-5-4-6-8-17/h4-16H,1-3H3,(H,26,29)(H,27,28)/b14-9+
InChIKeyCMPPFKJTLMRARR-NTEUORMPSA-N
XLogP4.62
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]prop-2-enoic acid
CID 21486337
N-[2,5-diethoxy-4-[3-(4-methoxyphenyl)prop-2-enoylamino]phenyl]benzamide
CID 4642597
N-[2,5-dimethoxy-4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoylamino]phenyl]benzamide
CID 2915510
(E)-N-[2,3-dimethoxy-5-(3,4,5-trimethoxybenzoyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 90676913
N-(4-phenylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 78569110
N-[4-[3-(4-ethoxyphenyl)prop-2-enoylamino]-2,5-dimethoxyphenyl]benzamide
CID 4642812
N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-phenylprop-2-enamide
CID 135359423
(E)-3-(3,4,5-trimethoxyphenyl)-N-[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359711
(E)-N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 875420
N-(4-methoxyphenyl)-3-(3-phenylprop-2-enoylamino)-1-benzofuran-2-carboxamide
CID 7159740
N-(4-methoxyphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51161656
4-tert-butyl-N-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 17235009

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(4-methoxyphenyl)-5-[[(E)-3-phenylprop-2-enoyl]amino]benzamide?
The IUPAC name of 3,4-dimethoxy-N-(4-methoxyphenyl)-5-[[(E)-3-phenylprop-2-enoyl]amino]benzamide (CID 5472388) is 3,4-dimethoxy-N-(4-methoxyphenyl)-5-[[(E)-3-phenylprop-2-enoyl]amino]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(4-methoxyphenyl)-5-[[(E)-3-phenylprop-2-enoyl]amino]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(4-methoxyphenyl)-5-[[(E)-3-phenylprop-2-enoyl]amino]benzamide is COc1ccc(NC(=O)c2cc(NC(=O)/C=C/c3ccccc3)c(OC)c(OC)c2)cc1.
What is the InChIKey of 3,4-dimethoxy-N-(4-methoxyphenyl)-5-[[(E)-3-phenylprop-2-enoyl]amino]benzamide?
The InChIKey is CMPPFKJTLMRARR-NTEUORMPSA-N. The full InChI is InChI=1S/C25H24N2O5/c1-30-20-12-10-19(11-13-20)26-25(29)18-15-21(24(32-3)22(16-18)31-2)27-23(28)14-9-17-7-5-4-6-8-17/h4-16H,1-3H3,(H,26,29)(H,27,28)/b14-9+.
What are the key properties of 3,4-dimethoxy-N-(4-methoxyphenyl)-5-[[(E)-3-phenylprop-2-enoyl]amino]benzamide?
3,4-dimethoxy-N-(4-methoxyphenyl)-5-[[(E)-3-phenylprop-2-enoyl]amino]benzamide has a molecular weight of 432.48 g/mol, XLogP of 4.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(4-methoxyphenyl)-5-[[(E)-3-phenylprop-2-enoyl]amino]benzamide is sourced from PubChem (CID 5472388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).