N'-(2,4-dimethoxybenzoyl)-1-methylindole-3-carbohydrazide

C19H19N3O4 — CID 40717267

IUPACN'-(2,4-dimethoxybenzoyl)-1-methylindole-3-carbohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)c(OC)c1
InChIInChI=1S/C19H19N3O4/c1-22-11-15(13-6-4-5-7-16(13)22)19(24)21-20-18(23)14-9-8-12(25-2)10-17(14)26-3/h4-11H,1-3H3,(H,20,23)(H,21,24)
InChIKeyNBWFJQBJNCZBHY-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.27
Rot. Bonds4

About N'-(2,4-dimethoxybenzoyl)-1-methylindole-3-carbohydrazide

N'-(2,4-dimethoxybenzoyl)-1-methylindole-3-carbohydrazide (PubChem CID 40717267) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N'-(2,4-dimethoxybenzoyl)-1-methylindole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2,4-dimethoxybenzoyl)-1-methylindole-3-carbohydrazide
PubChem CID40717267
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN'-(2,4-dimethoxybenzoyl)-1-methylindole-3-carbohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)c(OC)c1
InChIInChI=1S/C19H19N3O4/c1-22-11-15(13-6-4-5-7-16(13)22)19(24)21-20-18(23)14-9-8-12(25-2)10-17(14)26-3/h4-11H,1-3H3,(H,20,23)(H,21,24)
InChIKeyNBWFJQBJNCZBHY-UHFFFAOYSA-N
XLogP2.27
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethoxyphenyl)-1-methylindole-3-carboxamide
CID 25343212
(E)-3-(2,4-dimethoxyphenyl)-1-(1-methylindol-3-yl)prop-2-en-1-one
CID 56675195
2,4-dimethoxy-N'-(2-methylbenzoyl)benzohydrazide
CID 793888
N-[(4-methoxyphenyl)methyl]-1-methylindole-3-carboxamide
CID 9208154
N-(2-methoxy-5-methylphenyl)-1-methylindole-3-carboxamide
CID 9208634
N-[2-(4-methoxyphenoxy)ethyl]-1-methylindole-3-carboxamide
CID 17492048
N'-(2,5-dimethylthiophene-3-carbonyl)-1-methylindole-3-carbohydrazide
CID 31737928
N-(5-chloro-2-methoxyphenyl)-1-methylindole-3-carboxamide
CID 29202307
1-methyl-N'-[2-(4-phenoxyphenoxy)acetyl]indole-3-carbohydrazide
CID 25468814
N'-(3-bromo-5-ethoxy-4-methoxybenzoyl)-1-methylindole-3-carbohydrazide
CID 26420177
N'-(4-chlorobenzoyl)-1-methylindole-3-carbohydrazide
CID 9206903
N'-(2,4-dichloro-5-fluorobenzoyl)-1-methylindole-3-carbohydrazide
CID 26815716

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dimethoxybenzoyl)-1-methylindole-3-carbohydrazide?
The IUPAC name of N'-(2,4-dimethoxybenzoyl)-1-methylindole-3-carbohydrazide (CID 40717267) is N'-(2,4-dimethoxybenzoyl)-1-methylindole-3-carbohydrazide.
What is the SMILES notation for N'-(2,4-dimethoxybenzoyl)-1-methylindole-3-carbohydrazide?
The canonical SMILES for N'-(2,4-dimethoxybenzoyl)-1-methylindole-3-carbohydrazide is COc1ccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)c(OC)c1.
What is the InChIKey of N'-(2,4-dimethoxybenzoyl)-1-methylindole-3-carbohydrazide?
The InChIKey is NBWFJQBJNCZBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-22-11-15(13-6-4-5-7-16(13)22)19(24)21-20-18(23)14-9-8-12(25-2)10-17(14)26-3/h4-11H,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N'-(2,4-dimethoxybenzoyl)-1-methylindole-3-carbohydrazide?
N'-(2,4-dimethoxybenzoyl)-1-methylindole-3-carbohydrazide has a molecular weight of 353.38 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dimethoxybenzoyl)-1-methylindole-3-carbohydrazide is sourced from PubChem (CID 40717267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).