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

C18H18N2O4 — CID 71741197

IUPAC4,5-dimethoxy-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
SMILESCOc1cc(NC(=O)/C=C/c2ccccc2)c(C(N)=O)cc1OC
InChIInChI=1S/C18H18N2O4/c1-23-15-10-13(18(19)22)14(11-16(15)24-2)20-17(21)9-8-12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,19,22)(H,20,21)/b9-8+
InChIKeyGLOIPBXNPXFMCD-CMDGGOBGSA-N
MW326.35 g/mol
LogP2.45
Rot. Bonds6

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

4,5-dimethoxy-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide (PubChem CID 71741197) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 4,5-dimethoxy-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide.

Molecular Properties

Compound Name4,5-dimethoxy-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
PubChem CID71741197
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name4,5-dimethoxy-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
SMILESCOc1cc(NC(=O)/C=C/c2ccccc2)c(C(N)=O)cc1OC
InChIInChI=1S/C18H18N2O4/c1-23-15-10-13(18(19)22)14(11-16(15)24-2)20-17(21)9-8-12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,19,22)(H,20,21)/b9-8+
InChIKeyGLOIPBXNPXFMCD-CMDGGOBGSA-N
XLogP2.45
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-4,5-dimethoxybenzamide
CID 60602066
4,5-dimethoxy-2-[3-(3,4,5-trimethoxyphenyl)prop-2-enoylamino]benzamide
CID 54112532
2-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-4,5-dimethoxybenzoic acid
CID 45427989
2-[[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 6967475
3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-2-methylbenzamide
CID 34585271
N-(3-amino-4-methoxyphenyl)-3-phenylprop-2-enamide
CID 74572950
(E)-N-[4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-3-phenylprop-2-enamide
CID 14597871
(E)-N-(2,5-dimethoxy-4-phenylsulfanylphenyl)-3-phenylprop-2-enamide
CID 110179822
4,5-dimethoxy-2-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]benzamide
CID 47085141
(E)-3-(3-amino-4-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 39419191
methyl 4,5-dimethoxy-2-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]benzoate
CID 26694596
N-(2-bromophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 3270628

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide?
The IUPAC name of 4,5-dimethoxy-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide (CID 71741197) is 4,5-dimethoxy-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide.
What is the SMILES notation for 4,5-dimethoxy-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide?
The canonical SMILES for 4,5-dimethoxy-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide is COc1cc(NC(=O)/C=C/c2ccccc2)c(C(N)=O)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide?
The InChIKey is GLOIPBXNPXFMCD-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-23-15-10-13(18(19)22)14(11-16(15)24-2)20-17(21)9-8-12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,19,22)(H,20,21)/b9-8+.
What are the key properties of 4,5-dimethoxy-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide?
4,5-dimethoxy-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide has a molecular weight of 326.35 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide is sourced from PubChem (CID 71741197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).