3-hydroxy-N'-[1-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene-2-carbohydrazide

C22H22N2O5 — CID 5174774

IUPAC3-hydroxy-N'-[1-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene-2-carbohydrazide
SMILESC=C(NNC(=O)c1cc2ccccc2cc1O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C22H22N2O5/c1-13(16-11-19(27-2)21(29-4)20(12-16)28-3)23-24-22(26)17-9-14-7-5-6-8-15(14)10-18(17)25/h5-12,23,25H,1H2,2-4H3,(H,24,26)
InChIKeySZZBSRNRDVDWFA-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.48
Rot. Bonds7

About 3-hydroxy-N'-[1-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene-2-carbohydrazide

3-hydroxy-N'-[1-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene-2-carbohydrazide (PubChem CID 5174774) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is 3-hydroxy-N'-[1-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene-2-carbohydrazide.

Molecular Properties

Compound Name3-hydroxy-N'-[1-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene-2-carbohydrazide
PubChem CID5174774
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC Name3-hydroxy-N'-[1-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene-2-carbohydrazide
SMILESC=C(NNC(=O)c1cc2ccccc2cc1O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C22H22N2O5/c1-13(16-11-19(27-2)21(29-4)20(12-16)28-3)23-24-22(26)17-9-14-7-5-6-8-15(14)10-18(17)25/h5-12,23,25H,1H2,2-4H3,(H,24,26)
InChIKeySZZBSRNRDVDWFA-UHFFFAOYSA-N
XLogP3.48
TPSA89.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-N'-(4-methoxybenzoyl)naphthalene-2-carbohydrazide
CID 806093
3,4,5-trimethoxy-N'-[1-(3-methoxyphenyl)ethenyl]benzohydrazide
CID 2401018
3,4,5-trimethoxy-N'-[1-(4-methylphenyl)ethenyl]benzohydrazide
CID 2352026
N'-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzenesulfonohydrazide
CID 2643082
2-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamoyl]benzoic acid
CID 969323
N'-(2-ethoxybenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 4926525
2-ethoxy-N'-[1-(4-methoxyphenyl)ethenyl]benzohydrazide
CID 5052026
N-[2-(benzamidocarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 126008715
3,4,5-trimethoxy-N'-[1-(10H-phenothiazin-2-yl)ethenyl]benzohydrazide
CID 2366127
N-(2,3-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide;3-hydroxy-N-(2-phenoxyphenyl)naphthalene-2-carboxamide
CID 158102212
1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-(3-methoxyphenyl)thiourea
CID 8000990
3,4,5-trimethoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide
CID 4938028

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N'-[1-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene-2-carbohydrazide?
The IUPAC name of 3-hydroxy-N'-[1-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene-2-carbohydrazide (CID 5174774) is 3-hydroxy-N'-[1-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene-2-carbohydrazide.
What is the SMILES notation for 3-hydroxy-N'-[1-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene-2-carbohydrazide?
The canonical SMILES for 3-hydroxy-N'-[1-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene-2-carbohydrazide is C=C(NNC(=O)c1cc2ccccc2cc1O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 3-hydroxy-N'-[1-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene-2-carbohydrazide?
The InChIKey is SZZBSRNRDVDWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-13(16-11-19(27-2)21(29-4)20(12-16)28-3)23-24-22(26)17-9-14-7-5-6-8-15(14)10-18(17)25/h5-12,23,25H,1H2,2-4H3,(H,24,26).
What are the key properties of 3-hydroxy-N'-[1-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene-2-carbohydrazide?
3-hydroxy-N'-[1-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene-2-carbohydrazide has a molecular weight of 394.43 g/mol, XLogP of 3.48, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N'-[1-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene-2-carbohydrazide is sourced from PubChem (CID 5174774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).