3-amino-N'-[(4-tert-butylphenyl)methyl]-4-cyclohexyl-2-hydroxybutanehydrazide

C21H35N3O2 — CID 10109240

IUPAC3-amino-N'-[(4-tert-butylphenyl)methyl]-4-cyclohexyl-2-hydroxybutanehydrazide
SMILESCC(C)(C)c1ccc(CNNC(=O)C(O)C(N)CC2CCCCC2)cc1
InChIInChI=1S/C21H35N3O2/c1-21(2,3)17-11-9-16(10-12-17)14-23-24-20(26)19(25)18(22)13-15-7-5-4-6-8-15/h9-12,15,18-19,23,25H,4-8,13-14,22H2,1-3H3,(H,24,26)
InChIKeyQFEFQWWOJIBRRB-UHFFFAOYSA-N
MW361.53 g/mol
LogP2.76
Rot. Bonds7

About 3-amino-N'-[(4-tert-butylphenyl)methyl]-4-cyclohexyl-2-hydroxybutanehydrazide

3-amino-N'-[(4-tert-butylphenyl)methyl]-4-cyclohexyl-2-hydroxybutanehydrazide (PubChem CID 10109240) has the molecular formula C21H35N3O2 and a molecular weight of 361.53 g/mol. Its IUPAC name is 3-amino-N'-[(4-tert-butylphenyl)methyl]-4-cyclohexyl-2-hydroxybutanehydrazide.

Molecular Properties

Compound Name3-amino-N'-[(4-tert-butylphenyl)methyl]-4-cyclohexyl-2-hydroxybutanehydrazide
PubChem CID10109240
Molecular FormulaC21H35N3O2
Molecular Weight361.53 g/mol
Exact Mass361.27
IUPAC Name3-amino-N'-[(4-tert-butylphenyl)methyl]-4-cyclohexyl-2-hydroxybutanehydrazide
SMILESCC(C)(C)c1ccc(CNNC(=O)C(O)C(N)CC2CCCCC2)cc1
InChIInChI=1S/C21H35N3O2/c1-21(2,3)17-11-9-16(10-12-17)14-23-24-20(26)19(25)18(22)13-15-7-5-4-6-8-15/h9-12,15,18-19,23,25H,4-8,13-14,22H2,1-3H3,(H,24,26)
InChIKeyQFEFQWWOJIBRRB-UHFFFAOYSA-N
XLogP2.76
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 52.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N'-[(4-tert-butylphenyl)methyl]-4-cyclohexyl-2-hydroxybutanehydrazide?
The IUPAC name of 3-amino-N'-[(4-tert-butylphenyl)methyl]-4-cyclohexyl-2-hydroxybutanehydrazide (CID 10109240) is 3-amino-N'-[(4-tert-butylphenyl)methyl]-4-cyclohexyl-2-hydroxybutanehydrazide.
What is the SMILES notation for 3-amino-N'-[(4-tert-butylphenyl)methyl]-4-cyclohexyl-2-hydroxybutanehydrazide?
The canonical SMILES for 3-amino-N'-[(4-tert-butylphenyl)methyl]-4-cyclohexyl-2-hydroxybutanehydrazide is CC(C)(C)c1ccc(CNNC(=O)C(O)C(N)CC2CCCCC2)cc1.
What is the InChIKey of 3-amino-N'-[(4-tert-butylphenyl)methyl]-4-cyclohexyl-2-hydroxybutanehydrazide?
The InChIKey is QFEFQWWOJIBRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O2/c1-21(2,3)17-11-9-16(10-12-17)14-23-24-20(26)19(25)18(22)13-15-7-5-4-6-8-15/h9-12,15,18-19,23,25H,4-8,13-14,22H2,1-3H3,(H,24,26).
What are the key properties of 3-amino-N'-[(4-tert-butylphenyl)methyl]-4-cyclohexyl-2-hydroxybutanehydrazide?
3-amino-N'-[(4-tert-butylphenyl)methyl]-4-cyclohexyl-2-hydroxybutanehydrazide has a molecular weight of 361.53 g/mol, XLogP of 2.76, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N'-[(4-tert-butylphenyl)methyl]-4-cyclohexyl-2-hydroxybutanehydrazide is sourced from PubChem (CID 10109240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).