N'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-prop-2-enoxybenzohydrazide

C21H22N2O5 — CID 6232483

IUPACN'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-prop-2-enoxybenzohydrazide
SMILESC=CCOc1ccc(C(=O)NNC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H22N2O5/c1-4-13-28-17-9-7-16(8-10-17)21(25)23-22-20(24)12-6-15-5-11-18(26-2)19(14-15)27-3/h4-12,14H,1,13H2,2-3H3,(H,22,24)(H,23,25)/b12-6+
InChIKeyBOVTUINYBNZRHV-WUXMJOGZSA-N
MW382.42 g/mol
LogP2.74
Rot. Bonds8

About N'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-prop-2-enoxybenzohydrazide

N'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-prop-2-enoxybenzohydrazide (PubChem CID 6232483) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is N'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-prop-2-enoxybenzohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-prop-2-enoxybenzohydrazide
PubChem CID6232483
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC NameN'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-prop-2-enoxybenzohydrazide
SMILESC=CCOc1ccc(C(=O)NNC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H22N2O5/c1-4-13-28-17-9-7-16(8-10-17)21(25)23-22-20(24)12-6-15-5-11-18(26-2)19(14-15)27-3/h4-12,14H,1,13H2,2-3H3,(H,22,24)(H,23,25)/b12-6+
InChIKeyBOVTUINYBNZRHV-WUXMJOGZSA-N
XLogP2.74
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 9468098
4-(diethylamino)-N'-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 4219280
N'-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]-4-methylbenzohydrazide
CID 9475903
N'-[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]furan-2-carbohydrazide
CID 9476514
(E)-N-[4-(2-methoxyethoxy)phenyl]-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide
CID 46461482
ethyl 4-[2-[2-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4932704
4-methoxy-N'-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 7948325
N'-[(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)prop-2-enoyl]-4-ethoxybenzohydrazide
CID 9480415
3-(3,4-dimethoxyphenyl)-N-prop-2-enylprop-2-enamide
CID 28119
methyl 2-[[4-[[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]amino]benzoyl]amino]acetate
CID 34073243
(E)-3-(3,4-dimethoxyphenyl)-N-[[(2-prop-2-enoxybenzoyl)amino]carbamothioyl]prop-2-enamide
CID 6233416
(E)-N-(3,5-dimethoxyphenyl)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide
CID 9096622

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-prop-2-enoxybenzohydrazide?
The IUPAC name of N'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-prop-2-enoxybenzohydrazide (CID 6232483) is N'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-prop-2-enoxybenzohydrazide.
What is the SMILES notation for N'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-prop-2-enoxybenzohydrazide?
The canonical SMILES for N'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-prop-2-enoxybenzohydrazide is C=CCOc1ccc(C(=O)NNC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-prop-2-enoxybenzohydrazide?
The InChIKey is BOVTUINYBNZRHV-WUXMJOGZSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-4-13-28-17-9-7-16(8-10-17)21(25)23-22-20(24)12-6-15-5-11-18(26-2)19(14-15)27-3/h4-12,14H,1,13H2,2-3H3,(H,22,24)(H,23,25)/b12-6+.
What are the key properties of N'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-prop-2-enoxybenzohydrazide?
N'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-prop-2-enoxybenzohydrazide has a molecular weight of 382.42 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-prop-2-enoxybenzohydrazide is sourced from PubChem (CID 6232483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).