N'-[(2S)-2-hydroxycyclohexyl]-4-methyl-N'-propylbenzohydrazide

C17H26N2O2 — CID 155093821

IUPACN'-[(2S)-2-hydroxycyclohexyl]-4-methyl-N'-propylbenzohydrazide
SMILESCCCN(NC(=O)c1ccc(C)cc1)C1CCCC[C@@H]1O
InChIInChI=1S/C17H26N2O2/c1-3-12-19(15-6-4-5-7-16(15)20)18-17(21)14-10-8-13(2)9-11-14/h8-11,15-16,20H,3-7,12H2,1-2H3,(H,18,21)/t15?,16-/m0/s1
InChIKeyLMJVKIZFVREOPU-LYKKTTPLSA-N
MW290.41 g/mol
LogP2.66
Rot. Bonds5

About N'-[(2S)-2-hydroxycyclohexyl]-4-methyl-N'-propylbenzohydrazide

N'-[(2S)-2-hydroxycyclohexyl]-4-methyl-N'-propylbenzohydrazide (PubChem CID 155093821) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N'-[(2S)-2-hydroxycyclohexyl]-4-methyl-N'-propylbenzohydrazide.

Molecular Properties

Compound NameN'-[(2S)-2-hydroxycyclohexyl]-4-methyl-N'-propylbenzohydrazide
PubChem CID155093821
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN'-[(2S)-2-hydroxycyclohexyl]-4-methyl-N'-propylbenzohydrazide
SMILESCCCN(NC(=O)c1ccc(C)cc1)C1CCCC[C@@H]1O
InChIInChI=1S/C17H26N2O2/c1-3-12-19(15-6-4-5-7-16(15)20)18-17(21)14-10-8-13(2)9-11-14/h8-11,15-16,20H,3-7,12H2,1-2H3,(H,18,21)/t15?,16-/m0/s1
InChIKeyLMJVKIZFVREOPU-LYKKTTPLSA-N
XLogP2.66
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[(2S)-2-hydroxycyclohexyl]-4-methyl-N'-propylbenzohydrazide 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

N-[2-[ethyl(propyl)amino]ethyl]-4-methylbenzamide
CID 143916034
N-cyclooctyl-4-methylbenzamide
CID 3995245
N-[cyclopropylmethyl(propyl)carbamothioyl]-4-methylbenzamide
CID 3816997
N-[2-[acetyl(cyclohexyl)amino]ethyl]-4-methylbenzamide
CID 113052915
N'-(oxan-4-yl)-N'-propylbenzohydrazide
CID 140641753
2-[cyclopentyl(methyl)amino]-1-(4-methylphenyl)ethanone
CID 43795211
trans-(1R,2R)-2-[methyl(propyl)amino]cyclopentan-1-ol
CID 102734361
N-cyclobutyl-4-methylbenzamide
CID 23530676
N-(2-hydroxycyclohexyl)-N-methyl-3-(4-methylphenyl)propanamide
CID 102635327
N-[(1R,2R)-2-hydroxycyclohexyl]-2-(methylamino)-N-propylacetamide
CID 56873062
N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 19061824
2-[cyclopropyl(methyl)amino]-1-(4-methylphenyl)ethanone
CID 43795012

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-hydroxycyclohexyl]-4-methyl-N'-propylbenzohydrazide?
The IUPAC name of N'-[(2S)-2-hydroxycyclohexyl]-4-methyl-N'-propylbenzohydrazide (CID 155093821) is N'-[(2S)-2-hydroxycyclohexyl]-4-methyl-N'-propylbenzohydrazide.
What is the SMILES notation for N'-[(2S)-2-hydroxycyclohexyl]-4-methyl-N'-propylbenzohydrazide?
The canonical SMILES for N'-[(2S)-2-hydroxycyclohexyl]-4-methyl-N'-propylbenzohydrazide is CCCN(NC(=O)c1ccc(C)cc1)C1CCCC[C@@H]1O.
What is the InChIKey of N'-[(2S)-2-hydroxycyclohexyl]-4-methyl-N'-propylbenzohydrazide?
The InChIKey is LMJVKIZFVREOPU-LYKKTTPLSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-12-19(15-6-4-5-7-16(15)20)18-17(21)14-10-8-13(2)9-11-14/h8-11,15-16,20H,3-7,12H2,1-2H3,(H,18,21)/t15?,16-/m0/s1.
What are the key properties of N'-[(2S)-2-hydroxycyclohexyl]-4-methyl-N'-propylbenzohydrazide?
N'-[(2S)-2-hydroxycyclohexyl]-4-methyl-N'-propylbenzohydrazide has a molecular weight of 290.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-hydroxycyclohexyl]-4-methyl-N'-propylbenzohydrazide is sourced from PubChem (CID 155093821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).