N'-[2-(2-ethoxyphenoxy)acetyl]-3,4-dipropoxybenzohydrazide

C23H30N2O6 — CID 55358632

IUPACN'-[2-(2-ethoxyphenoxy)acetyl]-3,4-dipropoxybenzohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)COc2ccccc2OCC)cc1OCCC
InChIInChI=1S/C23H30N2O6/c1-4-13-29-20-12-11-17(15-21(20)30-14-5-2)23(27)25-24-22(26)16-31-19-10-8-7-9-18(19)28-6-3/h7-12,15H,4-6,13-14,16H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyRJCXOZSRTYQQMC-UHFFFAOYSA-N
MW430.50 g/mol
LogP3.50
Rot. Bonds12

About N'-[2-(2-ethoxyphenoxy)acetyl]-3,4-dipropoxybenzohydrazide

N'-[2-(2-ethoxyphenoxy)acetyl]-3,4-dipropoxybenzohydrazide (PubChem CID 55358632) has the molecular formula C23H30N2O6 and a molecular weight of 430.50 g/mol. Its IUPAC name is N'-[2-(2-ethoxyphenoxy)acetyl]-3,4-dipropoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-ethoxyphenoxy)acetyl]-3,4-dipropoxybenzohydrazide
PubChem CID55358632
Molecular FormulaC23H30N2O6
Molecular Weight430.50 g/mol
Exact Mass430.21
IUPAC NameN'-[2-(2-ethoxyphenoxy)acetyl]-3,4-dipropoxybenzohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)COc2ccccc2OCC)cc1OCCC
InChIInChI=1S/C23H30N2O6/c1-4-13-29-20-12-11-17(15-21(20)30-14-5-2)23(27)25-24-22(26)16-31-19-10-8-7-9-18(19)28-6-3/h7-12,15H,4-6,13-14,16H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyRJCXOZSRTYQQMC-UHFFFAOYSA-N
XLogP3.50
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-chlorophenoxy)acetyl]-3,4-diethoxybenzohydrazide
CID 7601114
N'-benzoyl-3,4-dipropoxybenzohydrazide
CID 8574890
N'-[2-(2-ethoxyphenoxy)acetyl]-3,4-dimethylbenzohydrazide
CID 2102668
3,4-dichloro-N'-[2-(2-ethoxyphenoxy)acetyl]benzohydrazide
CID 2091621
3-methoxy-4-propoxy-N'-[2-[2-(trifluoromethyl)phenoxy]acetyl]benzohydrazide
CID 55616585
N'-[2-(2-ethoxyphenoxy)acetyl]-4-methylbenzohydrazide
CID 7918380
N'-(3-ethoxy-4-propoxybenzoyl)furan-2-carbohydrazide
CID 9476415
3-bromo-N'-[2-(2-phenylphenoxy)acetyl]-4-propoxybenzohydrazide
CID 17342831
3-ethoxy-N'-(4-nitrobenzoyl)-4-propoxybenzohydrazide
CID 9314736
N'-[2-(2-chlorophenoxy)acetyl]-4-(difluoromethoxy)-3-ethoxybenzohydrazide
CID 9470195
N-benzyl-3-ethoxy-4-propoxybenzamide
CID 4264811
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-ethoxyphenoxy)acetyl]-3,4-dipropoxybenzohydrazide?
The IUPAC name of N'-[2-(2-ethoxyphenoxy)acetyl]-3,4-dipropoxybenzohydrazide (CID 55358632) is N'-[2-(2-ethoxyphenoxy)acetyl]-3,4-dipropoxybenzohydrazide.
What is the SMILES notation for N'-[2-(2-ethoxyphenoxy)acetyl]-3,4-dipropoxybenzohydrazide?
The canonical SMILES for N'-[2-(2-ethoxyphenoxy)acetyl]-3,4-dipropoxybenzohydrazide is CCCOc1ccc(C(=O)NNC(=O)COc2ccccc2OCC)cc1OCCC.
What is the InChIKey of N'-[2-(2-ethoxyphenoxy)acetyl]-3,4-dipropoxybenzohydrazide?
The InChIKey is RJCXOZSRTYQQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O6/c1-4-13-29-20-12-11-17(15-21(20)30-14-5-2)23(27)25-24-22(26)16-31-19-10-8-7-9-18(19)28-6-3/h7-12,15H,4-6,13-14,16H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N'-[2-(2-ethoxyphenoxy)acetyl]-3,4-dipropoxybenzohydrazide?
N'-[2-(2-ethoxyphenoxy)acetyl]-3,4-dipropoxybenzohydrazide has a molecular weight of 430.50 g/mol, XLogP of 3.50, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-ethoxyphenoxy)acetyl]-3,4-dipropoxybenzohydrazide is sourced from PubChem (CID 55358632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).