N'-[2-(4-methoxyphenoxy)acetyl]-2-pentoxybenzohydrazide

C21H26N2O5 — CID 4946756

IUPACN'-[2-(4-methoxyphenoxy)acetyl]-2-pentoxybenzohydrazide
SMILESCCCCCOc1ccccc1C(=O)NNC(=O)COc1ccc(OC)cc1
InChIInChI=1S/C21H26N2O5/c1-3-4-7-14-27-19-9-6-5-8-18(19)21(25)23-22-20(24)15-28-17-12-10-16(26-2)11-13-17/h5-6,8-13H,3-4,7,14-15H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyUXBCMUSCNDFDSY-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.10
Rot. Bonds10

About N'-[2-(4-methoxyphenoxy)acetyl]-2-pentoxybenzohydrazide

N'-[2-(4-methoxyphenoxy)acetyl]-2-pentoxybenzohydrazide (PubChem CID 4946756) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is N'-[2-(4-methoxyphenoxy)acetyl]-2-pentoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-methoxyphenoxy)acetyl]-2-pentoxybenzohydrazide
PubChem CID4946756
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC NameN'-[2-(4-methoxyphenoxy)acetyl]-2-pentoxybenzohydrazide
SMILESCCCCCOc1ccccc1C(=O)NNC(=O)COc1ccc(OC)cc1
InChIInChI=1S/C21H26N2O5/c1-3-4-7-14-27-19-9-6-5-8-18(19)21(25)23-22-20(24)15-28-17-12-10-16(26-2)11-13-17/h5-6,8-13H,3-4,7,14-15H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyUXBCMUSCNDFDSY-UHFFFAOYSA-N
XLogP3.10
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.10
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-hexoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 4942278
2-hexoxy-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
CID 4942269
2-butoxy-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide
CID 4941258
N'-[2-(4-methylphenoxy)acetyl]-2-propoxybenzohydrazide
CID 4931603
N'-[2-(4-methoxyphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide
CID 4929179
2-pentoxy-N'-(2-phenylacetyl)benzohydrazide
CID 4946811
2-methoxy-N'-(4-octoxybenzoyl)benzohydrazide
CID 139600143
N'-hexanoyl-2-(2-phenoxyethoxy)benzohydrazide
CID 4955613
N'-[2-(4-methoxyphenoxy)acetyl]-2-methylbenzohydrazide
CID 732287
ethyl 4-[2-[2-[2-(2-methoxyethoxy)benzoyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 17355650
N-(4-ethoxyphenyl)-4-[2-(2-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide
CID 4942291
2-(2-ethoxyethoxy)-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
CID 17122844

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methoxyphenoxy)acetyl]-2-pentoxybenzohydrazide?
The IUPAC name of N'-[2-(4-methoxyphenoxy)acetyl]-2-pentoxybenzohydrazide (CID 4946756) is N'-[2-(4-methoxyphenoxy)acetyl]-2-pentoxybenzohydrazide.
What is the SMILES notation for N'-[2-(4-methoxyphenoxy)acetyl]-2-pentoxybenzohydrazide?
The canonical SMILES for N'-[2-(4-methoxyphenoxy)acetyl]-2-pentoxybenzohydrazide is CCCCCOc1ccccc1C(=O)NNC(=O)COc1ccc(OC)cc1.
What is the InChIKey of N'-[2-(4-methoxyphenoxy)acetyl]-2-pentoxybenzohydrazide?
The InChIKey is UXBCMUSCNDFDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-3-4-7-14-27-19-9-6-5-8-18(19)21(25)23-22-20(24)15-28-17-12-10-16(26-2)11-13-17/h5-6,8-13H,3-4,7,14-15H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(4-methoxyphenoxy)acetyl]-2-pentoxybenzohydrazide?
N'-[2-(4-methoxyphenoxy)acetyl]-2-pentoxybenzohydrazide has a molecular weight of 386.45 g/mol, XLogP of 3.10, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methoxyphenoxy)acetyl]-2-pentoxybenzohydrazide is sourced from PubChem (CID 4946756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).