4-cyclopentyloxy-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methoxybenzohydrazide

C23H28N2O5 — CID 55833905

IUPAC4-cyclopentyloxy-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methoxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)COc2cc(C)ccc2C)ccc1OC1CCCC1
InChIInChI=1S/C23H28N2O5/c1-15-8-9-16(2)20(12-15)29-14-22(26)24-25-23(27)17-10-11-19(21(13-17)28-3)30-18-6-4-5-7-18/h8-13,18H,4-7,14H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyLCQXOXLYXJYASL-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.47
Rot. Bonds7

About 4-cyclopentyloxy-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methoxybenzohydrazide

4-cyclopentyloxy-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methoxybenzohydrazide (PubChem CID 55833905) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is 4-cyclopentyloxy-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methoxybenzohydrazide.

Molecular Properties

Compound Name4-cyclopentyloxy-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methoxybenzohydrazide
PubChem CID55833905
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Name4-cyclopentyloxy-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methoxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)COc2cc(C)ccc2C)ccc1OC1CCCC1
InChIInChI=1S/C23H28N2O5/c1-15-8-9-16(2)20(12-15)29-14-22(26)24-25-23(27)17-10-11-19(21(13-17)28-3)30-18-6-4-5-7-18/h8-13,18H,4-7,14H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyLCQXOXLYXJYASL-UHFFFAOYSA-N
XLogP3.47
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methylbenzohydrazide
CID 965967
4-tert-butyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide
CID 3310075
3,4-dimethoxy-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 4923561
N-[[(3-bromo-4-methoxybenzoyl)amino]carbamothioyl]-2-(2,5-dimethylphenoxy)acetamide
CID 3477652
4-cyclopentyloxy-3-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 55792742
N'-[2-(2,5-dimethylphenoxy)acetyl]-4-ethoxybenzohydrazide
CID 26845933
N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide
CID 166414788
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide
CID 47102429
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methyl-4-nitrobenzohydrazide
CID 4811497
4-cyclopentyloxy-3-methoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 47065905
ethane;methyl 4-cyclopentyloxy-3-methoxybenzoate
CID 144796199
4-cyclopentyloxy-N-(2,5-dimethoxyphenyl)-3-methoxybenzamide
CID 55792810

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methoxybenzohydrazide?
The IUPAC name of 4-cyclopentyloxy-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methoxybenzohydrazide (CID 55833905) is 4-cyclopentyloxy-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methoxybenzohydrazide.
What is the SMILES notation for 4-cyclopentyloxy-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methoxybenzohydrazide?
The canonical SMILES for 4-cyclopentyloxy-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methoxybenzohydrazide is COc1cc(C(=O)NNC(=O)COc2cc(C)ccc2C)ccc1OC1CCCC1.
What is the InChIKey of 4-cyclopentyloxy-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methoxybenzohydrazide?
The InChIKey is LCQXOXLYXJYASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-15-8-9-16(2)20(12-15)29-14-22(26)24-25-23(27)17-10-11-19(21(13-17)28-3)30-18-6-4-5-7-18/h8-13,18H,4-7,14H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of 4-cyclopentyloxy-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methoxybenzohydrazide?
4-cyclopentyloxy-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methoxybenzohydrazide has a molecular weight of 412.49 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methoxybenzohydrazide is sourced from PubChem (CID 55833905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).