2-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]benzohydrazide

C23H22N2O4 — CID 4954440

IUPAC2-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]benzohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)c1ccccc1OCCOc1ccccc1
InChIInChI=1S/C23H22N2O4/c1-17-9-5-6-12-19(17)22(26)24-25-23(27)20-13-7-8-14-21(20)29-16-15-28-18-10-3-2-4-11-18/h2-14H,15-16H2,1H3,(H,24,26)(H,25,27)
InChIKeyLTEKGWLMKAWEQR-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.53
Rot. Bonds7

About 2-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]benzohydrazide

2-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]benzohydrazide (PubChem CID 4954440) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]benzohydrazide.

Molecular Properties

Compound Name2-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]benzohydrazide
PubChem CID4954440
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name2-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]benzohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)c1ccccc1OCCOc1ccccc1
InChIInChI=1S/C23H22N2O4/c1-17-9-5-6-12-19(17)22(26)24-25-23(27)20-13-7-8-14-21(20)29-16-15-28-18-10-3-2-4-11-18/h2-14H,15-16H2,1H3,(H,24,26)(H,25,27)
InChIKeyLTEKGWLMKAWEQR-UHFFFAOYSA-N
XLogP3.53
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N'-(2-ethoxyacetyl)-2-(2-phenoxyethoxy)benzohydrazide
CID 17140922
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-phenoxyethoxy)benzoyl]-1-benzofuran-2-carbohydrazide
CID 27685461
2-methoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4952919
N-methyl-2-[[2-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 17354042
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
2-(2-phenoxyethoxy)-N'-(1-pyridin-2-ylethenyl)benzohydrazide
CID 2457579
N-(5-fluoro-2-methylphenyl)-2-(2-phenoxyethoxy)benzamide
CID 4856842
2-methyl-N-[4-[[[2-(2-phenoxyethoxy)benzoyl]amino]carbamoyl]phenyl]propanamide
CID 4954512
N'-[4-(2-methoxyethoxy)benzoyl]-2-phenylmethoxybenzohydrazide
CID 17353669
2-(3-methylbutoxy)-N'-(2-phenoxyacetyl)benzohydrazide
CID 4943974

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]benzohydrazide?
The IUPAC name of 2-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]benzohydrazide (CID 4954440) is 2-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]benzohydrazide.
What is the SMILES notation for 2-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]benzohydrazide?
The canonical SMILES for 2-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]benzohydrazide is Cc1ccccc1C(=O)NNC(=O)c1ccccc1OCCOc1ccccc1.
What is the InChIKey of 2-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]benzohydrazide?
The InChIKey is LTEKGWLMKAWEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-17-9-5-6-12-19(17)22(26)24-25-23(27)20-13-7-8-14-21(20)29-16-15-28-18-10-3-2-4-11-18/h2-14H,15-16H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 2-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]benzohydrazide?
2-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]benzohydrazide has a molecular weight of 390.44 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]benzohydrazide is sourced from PubChem (CID 4954440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).