N'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(ethylamino)-N-methylbenzohydrazide;hydrochloride

C23H32ClN3O3 — CID 142661692

IUPACN'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(ethylamino)-N-methylbenzohydrazide;hydrochloride
SMILESCCNc1ccc(C(=O)N(C)NCc2ccc(OC)c(OC3CCCC3)c2)cc1.Cl
InChIInChI=1S/C23H31N3O3.ClH/c1-4-24-19-12-10-18(11-13-19)23(27)26(2)25-16-17-9-14-21(28-3)22(15-17)29-20-7-5-6-8-20;/h9-15,20,24-25H,4-8,16H2,1-3H3;1H
InChIKeyPTOBSFPUYCCEKC-UHFFFAOYSA-N
MW433.98 g/mol
LogP4.65
Rot. Bonds9

About N'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(ethylamino)-N-methylbenzohydrazide;hydrochloride

N'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(ethylamino)-N-methylbenzohydrazide;hydrochloride (PubChem CID 142661692) has the molecular formula C23H32ClN3O3 and a molecular weight of 433.98 g/mol. Its IUPAC name is N'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(ethylamino)-N-methylbenzohydrazide;hydrochloride.

Molecular Properties

Compound NameN'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(ethylamino)-N-methylbenzohydrazide;hydrochloride
PubChem CID142661692
Molecular FormulaC23H32ClN3O3
Molecular Weight433.98 g/mol
Exact Mass433.21
IUPAC NameN'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(ethylamino)-N-methylbenzohydrazide;hydrochloride
SMILESCCNc1ccc(C(=O)N(C)NCc2ccc(OC)c(OC3CCCC3)c2)cc1.Cl
InChIInChI=1S/C23H31N3O3.ClH/c1-4-24-19-12-10-18(11-13-19)23(27)26(2)25-16-17-9-14-21(28-3)22(15-17)29-20-7-5-6-8-20;/h9-15,20,24-25H,4-8,16H2,1-3H3;1H
InChIKeyPTOBSFPUYCCEKC-UHFFFAOYSA-N
XLogP4.65
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.98
LogP ≤ 54.65
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

3-[(3-cyclopentyloxy-4-methoxyphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122000764
(3-cyclopentyloxy-4-methoxyphenyl)methylhydrazine
CID 143235659
3-amino-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119774714
N-[4-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylcarbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 142662106
N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyridin-3-amine
CID 152616446
1-(3-cyclobutyloxy-4-methoxyphenyl)-N-methoxymethanamine
CID 117346957
2-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone
CID 117376031
4-cyclopentyloxy-N-[(4-ethoxyphenyl)methyl]-3-methoxy-N-methylbenzamide
CID 55833317
N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]hydroxylamine
CID 115004271
N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 110956533
N-[4-[[(3-cyclopentyloxy-4-methoxyphenyl)methyl-ethylamino]-methylcarbamoyl]phenyl]-N-ethyl-4-methoxybenzamide
CID 142661708
methyl 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]benzoate
CID 23222832

Frequently Asked Questions

What is the IUPAC name of N'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(ethylamino)-N-methylbenzohydrazide;hydrochloride?
The IUPAC name of N'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(ethylamino)-N-methylbenzohydrazide;hydrochloride (CID 142661692) is N'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(ethylamino)-N-methylbenzohydrazide;hydrochloride.
What is the SMILES notation for N'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(ethylamino)-N-methylbenzohydrazide;hydrochloride?
The canonical SMILES for N'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(ethylamino)-N-methylbenzohydrazide;hydrochloride is CCNc1ccc(C(=O)N(C)NCc2ccc(OC)c(OC3CCCC3)c2)cc1.Cl.
What is the InChIKey of N'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(ethylamino)-N-methylbenzohydrazide;hydrochloride?
The InChIKey is PTOBSFPUYCCEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3.ClH/c1-4-24-19-12-10-18(11-13-19)23(27)26(2)25-16-17-9-14-21(28-3)22(15-17)29-20-7-5-6-8-20;/h9-15,20,24-25H,4-8,16H2,1-3H3;1H.
What are the key properties of N'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(ethylamino)-N-methylbenzohydrazide;hydrochloride?
N'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(ethylamino)-N-methylbenzohydrazide;hydrochloride has a molecular weight of 433.98 g/mol, XLogP of 4.65, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(ethylamino)-N-methylbenzohydrazide;hydrochloride is sourced from PubChem (CID 142661692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).