(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(4-methylphenyl)butanehydrazide

C17H27N3O2 — CID 11779868

IUPAC(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(4-methylphenyl)butanehydrazide
SMILESCc1ccc(N(N)C(=O)C(O)[C@H](N)CC2CCCCC2)cc1
InChIInChI=1S/C17H27N3O2/c1-12-7-9-14(10-8-12)20(19)17(22)16(21)15(18)11-13-5-3-2-4-6-13/h7-10,13,15-16,21H,2-6,11,18-19H2,1H3/t15-,16?/m1/s1
InChIKeyNYHYQBZQBKYKGM-AAFJCEBUSA-N
MW305.42 g/mol
LogP1.86
Rot. Bonds5

About (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(4-methylphenyl)butanehydrazide

(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(4-methylphenyl)butanehydrazide (PubChem CID 11779868) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(4-methylphenyl)butanehydrazide.

Molecular Properties

Compound Name(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(4-methylphenyl)butanehydrazide
PubChem CID11779868
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(4-methylphenyl)butanehydrazide
SMILESCc1ccc(N(N)C(=O)C(O)[C@H](N)CC2CCCCC2)cc1
InChIInChI=1S/C17H27N3O2/c1-12-7-9-14(10-8-12)20(19)17(22)16(21)15(18)11-13-5-3-2-4-6-13/h7-10,13,15-16,21H,2-6,11,18-19H2,1H3/t15-,16?/m1/s1
InChIKeyNYHYQBZQBKYKGM-AAFJCEBUSA-N
XLogP1.86
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.86
H-Bond Donors ≤ 53
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'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(4-methylphenyl)butanehydrazide?
The IUPAC name of (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(4-methylphenyl)butanehydrazide (CID 11779868) is (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(4-methylphenyl)butanehydrazide.
What is the SMILES notation for (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(4-methylphenyl)butanehydrazide?
The canonical SMILES for (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(4-methylphenyl)butanehydrazide is Cc1ccc(N(N)C(=O)C(O)[C@H](N)CC2CCCCC2)cc1.
What is the InChIKey of (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(4-methylphenyl)butanehydrazide?
The InChIKey is NYHYQBZQBKYKGM-AAFJCEBUSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-12-7-9-14(10-8-12)20(19)17(22)16(21)15(18)11-13-5-3-2-4-6-13/h7-10,13,15-16,21H,2-6,11,18-19H2,1H3/t15-,16?/m1/s1.
What are the key properties of (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(4-methylphenyl)butanehydrazide?
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(4-methylphenyl)butanehydrazide has a molecular weight of 305.42 g/mol, XLogP of 1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(4-methylphenyl)butanehydrazide is sourced from PubChem (CID 11779868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).