N'-[2-(3-hydroxyphenyl)-1-methoxyethyl]-2-iodo-4,5-dimethoxybenzohydrazide

C18H21IN2O5 — CID 143304720

IUPACN'-[2-(3-hydroxyphenyl)-1-methoxyethyl]-2-iodo-4,5-dimethoxybenzohydrazide
SMILESCOc1cc(I)c(C(=O)NNC(Cc2cccc(O)c2)OC)cc1OC
InChIInChI=1S/C18H21IN2O5/c1-24-15-9-13(14(19)10-16(15)25-2)18(23)21-20-17(26-3)8-11-5-4-6-12(22)7-11/h4-7,9-10,17,20,22H,8H2,1-3H3,(H,21,23)
InChIKeyJIAOXMBPBIJCLV-UHFFFAOYSA-N
MW472.28 g/mol
LogP2.46
Rot. Bonds8

About N'-[2-(3-hydroxyphenyl)-1-methoxyethyl]-2-iodo-4,5-dimethoxybenzohydrazide

N'-[2-(3-hydroxyphenyl)-1-methoxyethyl]-2-iodo-4,5-dimethoxybenzohydrazide (PubChem CID 143304720) has the molecular formula C18H21IN2O5 and a molecular weight of 472.28 g/mol. Its IUPAC name is N'-[2-(3-hydroxyphenyl)-1-methoxyethyl]-2-iodo-4,5-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(3-hydroxyphenyl)-1-methoxyethyl]-2-iodo-4,5-dimethoxybenzohydrazide
PubChem CID143304720
Molecular FormulaC18H21IN2O5
Molecular Weight472.28 g/mol
Exact Mass472.05
IUPAC NameN'-[2-(3-hydroxyphenyl)-1-methoxyethyl]-2-iodo-4,5-dimethoxybenzohydrazide
SMILESCOc1cc(I)c(C(=O)NNC(Cc2cccc(O)c2)OC)cc1OC
InChIInChI=1S/C18H21IN2O5/c1-24-15-9-13(14(19)10-16(15)25-2)18(23)21-20-17(26-3)8-11-5-4-6-12(22)7-11/h4-7,9-10,17,20,22H,8H2,1-3H3,(H,21,23)
InChIKeyJIAOXMBPBIJCLV-UHFFFAOYSA-N
XLogP2.46
TPSA89.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.28
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N'-[2-(3-hydroxyphenyl)acetyl]-4,5-dimethoxybenzohydrazide
CID 59421984
4-[2-(3-hydroxyphenyl)-1-methoxyethyl]-2,6-dimethoxyphenol
CID 163040674
N-[(2R)-2-(ethylamino)propyl]-2-iodo-4,5-dimethoxybenzamide;hydrochloride
CID 120653648
3-(3-hydroxyphenyl)-2-methoxypropanal
CID 105438620
cyclopropane;methyl 3-(3-hydroxyphenyl)-2-methylpropanoate
CID 144688794
3-[(2-iodo-4,5-dimethoxybenzoyl)amino]propanoic acid
CID 119177603
N-[(3-hydroxyphenyl)methyl]-2,4-dimethoxybenzamide
CID 61018179
N-(2-amino-2-methylpropyl)-2-iodo-4,5-dimethoxybenzamide;hydrochloride
CID 119629327
3-(3,4-dimethoxyphenyl)-2-(3-hydroxyphenyl)propanoic acid
CID 83955509
3-(2-sulfanylpropyl)phenol
CID 115013475
2-amino-N-(3-hydroxyphenyl)-4,5-dimethoxybenzamide
CID 61168074
(2S)-2-amino-3-(3-hydroxyphenyl)-N-methylpropanamide
CID 20638149

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-hydroxyphenyl)-1-methoxyethyl]-2-iodo-4,5-dimethoxybenzohydrazide?
The IUPAC name of N'-[2-(3-hydroxyphenyl)-1-methoxyethyl]-2-iodo-4,5-dimethoxybenzohydrazide (CID 143304720) is N'-[2-(3-hydroxyphenyl)-1-methoxyethyl]-2-iodo-4,5-dimethoxybenzohydrazide.
What is the SMILES notation for N'-[2-(3-hydroxyphenyl)-1-methoxyethyl]-2-iodo-4,5-dimethoxybenzohydrazide?
The canonical SMILES for N'-[2-(3-hydroxyphenyl)-1-methoxyethyl]-2-iodo-4,5-dimethoxybenzohydrazide is COc1cc(I)c(C(=O)NNC(Cc2cccc(O)c2)OC)cc1OC.
What is the InChIKey of N'-[2-(3-hydroxyphenyl)-1-methoxyethyl]-2-iodo-4,5-dimethoxybenzohydrazide?
The InChIKey is JIAOXMBPBIJCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21IN2O5/c1-24-15-9-13(14(19)10-16(15)25-2)18(23)21-20-17(26-3)8-11-5-4-6-12(22)7-11/h4-7,9-10,17,20,22H,8H2,1-3H3,(H,21,23).
What are the key properties of N'-[2-(3-hydroxyphenyl)-1-methoxyethyl]-2-iodo-4,5-dimethoxybenzohydrazide?
N'-[2-(3-hydroxyphenyl)-1-methoxyethyl]-2-iodo-4,5-dimethoxybenzohydrazide has a molecular weight of 472.28 g/mol, XLogP of 2.46, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-hydroxyphenyl)-1-methoxyethyl]-2-iodo-4,5-dimethoxybenzohydrazide is sourced from PubChem (CID 143304720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).