2-[[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide

C19H20N2O5 — CID 6967475

IUPAC2-[[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide
SMILESCOc1cc(OC)c(OC)cc1/C=C/C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C19H20N2O5/c1-24-15-11-17(26-3)16(25-2)10-12(15)8-9-18(22)21-14-7-5-4-6-13(14)19(20)23/h4-11H,1-3H3,(H2,20,23)(H,21,22)/b9-8+
InChIKeyDCQRIQIVFCWSNW-CMDGGOBGSA-N
MW356.38 g/mol
LogP2.46
Rot. Bonds7

About 2-[[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide

2-[[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide (PubChem CID 6967475) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-[[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide.

Molecular Properties

Compound Name2-[[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide
PubChem CID6967475
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name2-[[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide
SMILESCOc1cc(OC)c(OC)cc1/C=C/C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C19H20N2O5/c1-24-15-11-17(26-3)16(25-2)10-12(15)8-9-18(22)21-14-7-5-4-6-13(14)19(20)23/h4-11H,1-3H3,(H2,20,23)(H,21,22)/b9-8+
InChIKeyDCQRIQIVFCWSNW-CMDGGOBGSA-N
XLogP2.46
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.46
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

2-[[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]amino]benzamide
CID 17428682
(E)-N-(2-chlorophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 9411298
(E)-N-phenyl-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 8713738
4,5-dimethoxy-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
CID 71741197
(E)-N-(2-acetylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 8749582
methyl 2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 892842
3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-2-methylbenzamide
CID 34585271
2-[3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoylamino]benzamide
CID 4682883
(E)-N-[4-(phenylcarbamoylamino)phenyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 30779967
ethyl 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoate
CID 1219697
[2-(2-carbamoylanilino)-2-oxoethyl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate
CID 7788044
2-[[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]amino]-N-propan-2-ylbenzamide
CID 55874184

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide?
The IUPAC name of 2-[[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide (CID 6967475) is 2-[[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide.
What is the SMILES notation for 2-[[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide?
The canonical SMILES for 2-[[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide is COc1cc(OC)c(OC)cc1/C=C/C(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of 2-[[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide?
The InChIKey is DCQRIQIVFCWSNW-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-24-15-11-17(26-3)16(25-2)10-12(15)8-9-18(22)21-14-7-5-4-6-13(14)19(20)23/h4-11H,1-3H3,(H2,20,23)(H,21,22)/b9-8+.
What are the key properties of 2-[[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide?
2-[[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide has a molecular weight of 356.38 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide is sourced from PubChem (CID 6967475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).