3-[2-[cyclopentylmethyl(methyl)amino]ethoxy]benzohydrazide

C16H25N3O2 — CID 63657559

IUPAC3-[2-[cyclopentylmethyl(methyl)amino]ethoxy]benzohydrazide
SMILESCN(CCOc1cccc(C(=O)NN)c1)CC1CCCC1
InChIInChI=1S/C16H25N3O2/c1-19(12-13-5-2-3-6-13)9-10-21-15-8-4-7-14(11-15)16(20)18-17/h4,7-8,11,13H,2-3,5-6,9-10,12,17H2,1H3,(H,18,20)
InChIKeyQGEMHHRVAHYXIB-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.79
Rot. Bonds7

About 3-[2-[cyclopentylmethyl(methyl)amino]ethoxy]benzohydrazide

3-[2-[cyclopentylmethyl(methyl)amino]ethoxy]benzohydrazide (PubChem CID 63657559) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-[2-[cyclopentylmethyl(methyl)amino]ethoxy]benzohydrazide.

Molecular Properties

Compound Name3-[2-[cyclopentylmethyl(methyl)amino]ethoxy]benzohydrazide
PubChem CID63657559
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-[2-[cyclopentylmethyl(methyl)amino]ethoxy]benzohydrazide
SMILESCN(CCOc1cccc(C(=O)NN)c1)CC1CCCC1
InChIInChI=1S/C16H25N3O2/c1-19(12-13-5-2-3-6-13)9-10-21-15-8-4-7-14(11-15)16(20)18-17/h4,7-8,11,13H,2-3,5-6,9-10,12,17H2,1H3,(H,18,20)
InChIKeyQGEMHHRVAHYXIB-UHFFFAOYSA-N
XLogP1.79
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[2-[cyclopentylmethyl(methyl)amino]ethoxy]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[cyclopropylmethyl(methyl)amino]ethoxy]benzohydrazide
CID 55215002
3-[3-[cyclobutylmethyl(methyl)amino]propoxy]benzoic acid
CID 63073190
3-[2-[cyclopropylmethyl(methyl)amino]ethoxy]benzenecarbothioamide
CID 54884258
2-[3-(aminomethyl)phenoxy]-N-(cyclopentylmethyl)-N-methylethanamine
CID 63631386
3-[2-[methyl(oxan-4-yl)amino]ethoxy]benzohydrazide
CID 63573326
2-(3-bromophenoxy)-N-(cyclohexylmethyl)-N-methylethanamine
CID 63458650
4-[2-[cyclopentylmethyl(methyl)amino]ethoxy]benzoic acid
CID 63630897
3-[2-[methyl(pentan-3-yl)amino]ethoxy]benzohydrazide
CID 63571617
3-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzohydrazide
CID 63573041
N-cyclopentyloxy-3-(2-methoxyethoxy)benzamide
CID 75442730
2-[3-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-methylethanamine
CID 54898422
3-[2-[ethyl(propan-2-yl)amino]ethoxy]benzohydrazide
CID 63571761

Frequently Asked Questions

What is the IUPAC name of 3-[2-[cyclopentylmethyl(methyl)amino]ethoxy]benzohydrazide?
The IUPAC name of 3-[2-[cyclopentylmethyl(methyl)amino]ethoxy]benzohydrazide (CID 63657559) is 3-[2-[cyclopentylmethyl(methyl)amino]ethoxy]benzohydrazide.
What is the SMILES notation for 3-[2-[cyclopentylmethyl(methyl)amino]ethoxy]benzohydrazide?
The canonical SMILES for 3-[2-[cyclopentylmethyl(methyl)amino]ethoxy]benzohydrazide is CN(CCOc1cccc(C(=O)NN)c1)CC1CCCC1.
What is the InChIKey of 3-[2-[cyclopentylmethyl(methyl)amino]ethoxy]benzohydrazide?
The InChIKey is QGEMHHRVAHYXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-19(12-13-5-2-3-6-13)9-10-21-15-8-4-7-14(11-15)16(20)18-17/h4,7-8,11,13H,2-3,5-6,9-10,12,17H2,1H3,(H,18,20).
What are the key properties of 3-[2-[cyclopentylmethyl(methyl)amino]ethoxy]benzohydrazide?
3-[2-[cyclopentylmethyl(methyl)amino]ethoxy]benzohydrazide has a molecular weight of 291.39 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[cyclopentylmethyl(methyl)amino]ethoxy]benzohydrazide is sourced from PubChem (CID 63657559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).