(E)-N'-(2-phenylacetyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide

C20H22N2O5 — CID 24637532

IUPAC(E)-N'-(2-phenylacetyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide
SMILESCOc1cc(/C=C/C(=O)NNC(=O)Cc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C20H22N2O5/c1-25-16-11-15(12-17(26-2)20(16)27-3)9-10-18(23)21-22-19(24)13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,21,23)(H,22,24)/b10-9+
InChIKeyNAVBWXPERZKQCI-MDZDMXLPSA-N
MW370.41 g/mol
LogP2.12
Rot. Bonds7

About (E)-N'-(2-phenylacetyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide

(E)-N'-(2-phenylacetyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide (PubChem CID 24637532) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is (E)-N'-(2-phenylacetyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-N'-(2-phenylacetyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide
PubChem CID24637532
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name(E)-N'-(2-phenylacetyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide
SMILESCOc1cc(/C=C/C(=O)NNC(=O)Cc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C20H22N2O5/c1-25-16-11-15(12-17(26-2)20(16)27-3)9-10-18(23)21-22-19(24)13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,21,23)(H,22,24)/b10-9+
InChIKeyNAVBWXPERZKQCI-MDZDMXLPSA-N
XLogP2.12
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-dibenzyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 76857554
(E)-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide
CID 7943419
(E)-N-benzhydryl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 1186267
(E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide
CID 26853958
N-(4-phenylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 78569110
4-methoxy-N'-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 7948325
(E)-N-(2-acetylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 8749614
(E)-N-[2-(N-methylanilino)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 24560393
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide
CID 9078015
(E)-3-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)prop-2-enehydrazide
CID 91684963
N'-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 118712438
(E)-N-(2-phenylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 7929957

Frequently Asked Questions

What is the IUPAC name of (E)-N'-(2-phenylacetyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide?
The IUPAC name of (E)-N'-(2-phenylacetyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide (CID 24637532) is (E)-N'-(2-phenylacetyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide.
What is the SMILES notation for (E)-N'-(2-phenylacetyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide?
The canonical SMILES for (E)-N'-(2-phenylacetyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide is COc1cc(/C=C/C(=O)NNC(=O)Cc2ccccc2)cc(OC)c1OC.
What is the InChIKey of (E)-N'-(2-phenylacetyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide?
The InChIKey is NAVBWXPERZKQCI-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-25-16-11-15(12-17(26-2)20(16)27-3)9-10-18(23)21-22-19(24)13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,21,23)(H,22,24)/b10-9+.
What are the key properties of (E)-N'-(2-phenylacetyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide?
(E)-N'-(2-phenylacetyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide has a molecular weight of 370.41 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-(2-phenylacetyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide is sourced from PubChem (CID 24637532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).