4-methoxy-N'-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]benzohydrazide

C20H22N2O6 — CID 7948325

IUPAC4-methoxy-N'-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C20H22N2O6/c1-25-15-8-6-14(7-9-15)20(24)22-21-18(23)10-5-13-11-16(26-2)19(28-4)17(12-13)27-3/h5-12H,1-4H3,(H,21,23)(H,22,24)/b10-5+
InChIKeyZBURYEXKNLKJDU-BJMVGYQFSA-N
MW386.40 g/mol
LogP2.20
Rot. Bonds7

About 4-methoxy-N'-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]benzohydrazide

4-methoxy-N'-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]benzohydrazide (PubChem CID 7948325) has the molecular formula C20H22N2O6 and a molecular weight of 386.40 g/mol. Its IUPAC name is 4-methoxy-N'-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]benzohydrazide.

Molecular Properties

Compound Name4-methoxy-N'-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]benzohydrazide
PubChem CID7948325
Molecular FormulaC20H22N2O6
Molecular Weight386.40 g/mol
Exact Mass386.15
IUPAC Name4-methoxy-N'-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C20H22N2O6/c1-25-15-8-6-14(7-9-15)20(24)22-21-18(23)10-5-13-11-16(26-2)19(28-4)17(12-13)27-3/h5-12H,1-4H3,(H,21,23)(H,22,24)/b10-5+
InChIKeyZBURYEXKNLKJDU-BJMVGYQFSA-N
XLogP2.20
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'-[(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)prop-2-enoyl]-4-ethoxybenzohydrazide
CID 9480415
N'-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 118712438
4-methoxy-N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]benzohydrazide
CID 926990
N'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-prop-2-enoxybenzohydrazide
CID 6232483
(E)-3-(4-methoxyphenyl)-N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enehydrazide
CID 21406103
N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-4-methylbenzohydrazide
CID 2672384
3-(3,4,5-trimethoxyphenyl)-1-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 71835462
4-[2-(4-methoxybenzoyl)hydrazinyl]-4-oxobut-2-enoate
CID 7036749
(E)-N'-(2-phenylacetyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide
CID 24637532
(E)-N-[(2S)-2-methoxy-2-(4-methoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 11223344
N'-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-3,4,5-trimethoxybenzohydrazide
CID 2469632
(E)-N-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 135360201

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N'-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]benzohydrazide?
The IUPAC name of 4-methoxy-N'-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]benzohydrazide (CID 7948325) is 4-methoxy-N'-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]benzohydrazide.
What is the SMILES notation for 4-methoxy-N'-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]benzohydrazide?
The canonical SMILES for 4-methoxy-N'-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]benzohydrazide is COc1ccc(C(=O)NNC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 4-methoxy-N'-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]benzohydrazide?
The InChIKey is ZBURYEXKNLKJDU-BJMVGYQFSA-N. The full InChI is InChI=1S/C20H22N2O6/c1-25-15-8-6-14(7-9-15)20(24)22-21-18(23)10-5-13-11-16(26-2)19(28-4)17(12-13)27-3/h5-12H,1-4H3,(H,21,23)(H,22,24)/b10-5+.
What are the key properties of 4-methoxy-N'-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]benzohydrazide?
4-methoxy-N'-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]benzohydrazide has a molecular weight of 386.40 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N'-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]benzohydrazide is sourced from PubChem (CID 7948325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).