3-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]-1-benzofuran-2-carbohydrazide

C25H22N2O5 — CID 27685461

IUPAC3-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2ccccc2OCCOc2ccccc2)oc2ccccc12
InChIInChI=1S/C25H22N2O5/c1-17-19-11-5-8-14-22(19)32-23(17)25(29)27-26-24(28)20-12-6-7-13-21(20)31-16-15-30-18-9-3-2-4-10-18/h2-14H,15-16H2,1H3,(H,26,28)(H,27,29)
InChIKeyJTIZOHJLJCREMB-UHFFFAOYSA-N
MW430.46 g/mol
LogP4.27
Rot. Bonds7

About 3-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]-1-benzofuran-2-carbohydrazide

3-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]-1-benzofuran-2-carbohydrazide (PubChem CID 27685461) has the molecular formula C25H22N2O5 and a molecular weight of 430.46 g/mol. Its IUPAC name is 3-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name3-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]-1-benzofuran-2-carbohydrazide
PubChem CID27685461
Molecular FormulaC25H22N2O5
Molecular Weight430.46 g/mol
Exact Mass430.15
IUPAC Name3-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2ccccc2OCCOc2ccccc2)oc2ccccc12
InChIInChI=1S/C25H22N2O5/c1-17-19-11-5-8-14-22(19)32-23(17)25(29)27-26-24(28)20-12-6-7-13-21(20)31-16-15-30-18-9-3-2-4-10-18/h2-14H,15-16H2,1H3,(H,26,28)(H,27,29)
InChIKeyJTIZOHJLJCREMB-UHFFFAOYSA-N
XLogP4.27
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4954440
N'-(2,3-dimethoxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27685449
3-methyl-N'-[2-(oxolan-2-ylmethoxy)benzoyl]-1-benzofuran-2-carbohydrazide
CID 43048003
3-methyl-N-[2-(4-methylphenoxy)ethyl]-1-benzofuran-2-carboxamide
CID 9088716
N'-(2-ethoxyacetyl)-2-(2-phenoxyethoxy)benzohydrazide
CID 17140922
3-methyl-N'-(2-nitrobenzoyl)-1-benzofuran-2-carbohydrazide
CID 26813929
N'-(3-methyl-1-benzofuran-2-carbonyl)-2-phenylsulfanylpyridine-3-carbohydrazide
CID 24628583
N'-hexanoyl-2-(2-phenoxyethoxy)benzohydrazide
CID 4955613
1-(4-methylphenyl)-3-[[2-(2-phenoxyethoxy)benzoyl]amino]thiourea
CID 8619023
3-methyl-N'-[2-(2-nitrophenoxy)acetyl]-1-benzofuran-2-carbohydrazide
CID 26873925
3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 27608073
3-methyl-N'-(2-methyl-3-nitrobenzoyl)-1-benzofuran-2-carbohydrazide
CID 26874015

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]-1-benzofuran-2-carbohydrazide?
The IUPAC name of 3-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]-1-benzofuran-2-carbohydrazide (CID 27685461) is 3-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for 3-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]-1-benzofuran-2-carbohydrazide?
The canonical SMILES for 3-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]-1-benzofuran-2-carbohydrazide is Cc1c(C(=O)NNC(=O)c2ccccc2OCCOc2ccccc2)oc2ccccc12.
What is the InChIKey of 3-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]-1-benzofuran-2-carbohydrazide?
The InChIKey is JTIZOHJLJCREMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O5/c1-17-19-11-5-8-14-22(19)32-23(17)25(29)27-26-24(28)20-12-6-7-13-21(20)31-16-15-30-18-9-3-2-4-10-18/h2-14H,15-16H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 3-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]-1-benzofuran-2-carbohydrazide?
3-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]-1-benzofuran-2-carbohydrazide has a molecular weight of 430.46 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 27685461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).