N'-[2-(4-ethylphenoxy)propanoyl]-4-hexoxybenzohydrazide

C24H32N2O4 — CID 4953511

IUPACN'-[2-(4-ethylphenoxy)propanoyl]-4-hexoxybenzohydrazide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)C(C)Oc2ccc(CC)cc2)cc1
InChIInChI=1S/C24H32N2O4/c1-4-6-7-8-17-29-21-15-11-20(12-16-21)24(28)26-25-23(27)18(3)30-22-13-9-19(5-2)10-14-22/h9-16,18H,4-8,17H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyIVXHOMDTSCPKJC-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.44
Rot. Bonds11

About N'-[2-(4-ethylphenoxy)propanoyl]-4-hexoxybenzohydrazide

N'-[2-(4-ethylphenoxy)propanoyl]-4-hexoxybenzohydrazide (PubChem CID 4953511) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is N'-[2-(4-ethylphenoxy)propanoyl]-4-hexoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-ethylphenoxy)propanoyl]-4-hexoxybenzohydrazide
PubChem CID4953511
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC NameN'-[2-(4-ethylphenoxy)propanoyl]-4-hexoxybenzohydrazide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)C(C)Oc2ccc(CC)cc2)cc1
InChIInChI=1S/C24H32N2O4/c1-4-6-7-8-17-29-21-15-11-20(12-16-21)24(28)26-25-23(27)18(3)30-22-13-9-19(5-2)10-14-22/h9-16,18H,4-8,17H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyIVXHOMDTSCPKJC-UHFFFAOYSA-N
XLogP4.44
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.44
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

4-hexoxy-N'-(2-methylpropanoyl)benzohydrazide
CID 24677420
N'-[2-(4-ethylphenoxy)propanoyl]-4-prop-2-enoxybenzohydrazide
CID 4953506
2-(4-ethylphenoxy)-N-(4-heptoxyphenyl)propanamide
CID 4953412
N'-[2-(4-cyanophenoxy)propanoyl]-4-ethylbenzohydrazide
CID 78780605
N'-[2-(2-chlorophenoxy)propanoyl]-4-hexoxybenzohydrazide
CID 4932335
N-[4-[[[(2S)-2-(4-ethylphenoxy)propanoyl]amino]carbamoyl]phenyl]propanamide
CID 9237602
4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide
CID 102344080
methyl 4-[[[(2S)-2-(4-ethoxyphenoxy)propanoyl]amino]carbamoyl]benzoate
CID 9343601
N'-[4-(2-ethoxyethoxy)benzoyl]-4-hexoxybenzohydrazide
CID 17112816
(2R)-2-(4-ethylphenoxy)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide
CID 9238118
N'-[4-(2-methylpropoxy)benzoyl]-4-pentoxybenzohydrazide
CID 4935435
N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-4-hexoxybenzamide
CID 17169540

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-ethylphenoxy)propanoyl]-4-hexoxybenzohydrazide?
The IUPAC name of N'-[2-(4-ethylphenoxy)propanoyl]-4-hexoxybenzohydrazide (CID 4953511) is N'-[2-(4-ethylphenoxy)propanoyl]-4-hexoxybenzohydrazide.
What is the SMILES notation for N'-[2-(4-ethylphenoxy)propanoyl]-4-hexoxybenzohydrazide?
The canonical SMILES for N'-[2-(4-ethylphenoxy)propanoyl]-4-hexoxybenzohydrazide is CCCCCCOc1ccc(C(=O)NNC(=O)C(C)Oc2ccc(CC)cc2)cc1.
What is the InChIKey of N'-[2-(4-ethylphenoxy)propanoyl]-4-hexoxybenzohydrazide?
The InChIKey is IVXHOMDTSCPKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-4-6-7-8-17-29-21-15-11-20(12-16-21)24(28)26-25-23(27)18(3)30-22-13-9-19(5-2)10-14-22/h9-16,18H,4-8,17H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of N'-[2-(4-ethylphenoxy)propanoyl]-4-hexoxybenzohydrazide?
N'-[2-(4-ethylphenoxy)propanoyl]-4-hexoxybenzohydrazide has a molecular weight of 412.53 g/mol, XLogP of 4.44, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-ethylphenoxy)propanoyl]-4-hexoxybenzohydrazide is sourced from PubChem (CID 4953511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).