N'-(4-heptoxybenzoyl)-3-methylbenzohydrazide

C22H28N2O3 — CID 4950738

IUPACN'-(4-heptoxybenzoyl)-3-methylbenzohydrazide
SMILESCCCCCCCOc1ccc(C(=O)NNC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C22H28N2O3/c1-3-4-5-6-7-15-27-20-13-11-18(12-14-20)21(25)23-24-22(26)19-10-8-9-17(2)16-19/h8-14,16H,3-7,15H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyMYPCHCZJVNMRFB-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.42
Rot. Bonds9

About N'-(4-heptoxybenzoyl)-3-methylbenzohydrazide

N'-(4-heptoxybenzoyl)-3-methylbenzohydrazide (PubChem CID 4950738) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N'-(4-heptoxybenzoyl)-3-methylbenzohydrazide.

Molecular Properties

Compound NameN'-(4-heptoxybenzoyl)-3-methylbenzohydrazide
PubChem CID4950738
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN'-(4-heptoxybenzoyl)-3-methylbenzohydrazide
SMILESCCCCCCCOc1ccc(C(=O)NNC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C22H28N2O3/c1-3-4-5-6-7-15-27-20-13-11-18(12-14-20)21(25)23-24-22(26)19-10-8-9-17(2)16-19/h8-14,16H,3-7,15H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyMYPCHCZJVNMRFB-UHFFFAOYSA-N
XLogP4.42
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-hexoxy-N-[[(3-methylbenzoyl)amino]carbamothioyl]benzamide
CID 4934547
N'-[4-(2-methoxyethoxy)benzoyl]-3-methylbenzohydrazide
CID 17353579
4-hexoxy-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide
CID 4930869
4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4952932
4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide
CID 102344080
N'-(4-butoxybenzoyl)-3-chlorobenzohydrazide
CID 9475751
N'-[2-(2,6-dimethylphenoxy)acetyl]-4-heptoxybenzohydrazide
CID 4950737
3-methyl-N'-octanoylbenzohydrazide
CID 2218282
N'-[4-(2-ethoxyethoxy)benzoyl]-4-hexoxybenzohydrazide
CID 17112816
N'-heptanoyl-4-hexoxybenzohydrazide
CID 54789289
N'-(4-hexoxybenzoyl)-2-hydroxybenzohydrazide
CID 5223816
5-bromo-2-hexoxy-N'-(3-methylbenzoyl)benzohydrazide
CID 17343478

Frequently Asked Questions

What is the IUPAC name of N'-(4-heptoxybenzoyl)-3-methylbenzohydrazide?
The IUPAC name of N'-(4-heptoxybenzoyl)-3-methylbenzohydrazide (CID 4950738) is N'-(4-heptoxybenzoyl)-3-methylbenzohydrazide.
What is the SMILES notation for N'-(4-heptoxybenzoyl)-3-methylbenzohydrazide?
The canonical SMILES for N'-(4-heptoxybenzoyl)-3-methylbenzohydrazide is CCCCCCCOc1ccc(C(=O)NNC(=O)c2cccc(C)c2)cc1.
What is the InChIKey of N'-(4-heptoxybenzoyl)-3-methylbenzohydrazide?
The InChIKey is MYPCHCZJVNMRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-3-4-5-6-7-15-27-20-13-11-18(12-14-20)21(25)23-24-22(26)19-10-8-9-17(2)16-19/h8-14,16H,3-7,15H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N'-(4-heptoxybenzoyl)-3-methylbenzohydrazide?
N'-(4-heptoxybenzoyl)-3-methylbenzohydrazide has a molecular weight of 368.48 g/mol, XLogP of 4.42, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-heptoxybenzoyl)-3-methylbenzohydrazide is sourced from PubChem (CID 4950738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).