7-hydroxy-2,6,6-trimethyl-2-(3-methylphenyl)heptanehydrazide

C17H28N2O2 — CID 171078472

IUPAC7-hydroxy-2,6,6-trimethyl-2-(3-methylphenyl)heptanehydrazide
SMILESCc1cccc(C(C)(CCCC(C)(C)CO)C(=O)NN)c1
InChIInChI=1S/C17H28N2O2/c1-13-7-5-8-14(11-13)17(4,15(21)19-18)10-6-9-16(2,3)12-20/h5,7-8,11,20H,6,9-10,12,18H2,1-4H3,(H,19,21)
InChIKeyRGNCMERGQVIMIN-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.43
Rot. Bonds7

About 7-hydroxy-2,6,6-trimethyl-2-(3-methylphenyl)heptanehydrazide

7-hydroxy-2,6,6-trimethyl-2-(3-methylphenyl)heptanehydrazide (PubChem CID 171078472) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 7-hydroxy-2,6,6-trimethyl-2-(3-methylphenyl)heptanehydrazide.

Molecular Properties

Compound Name7-hydroxy-2,6,6-trimethyl-2-(3-methylphenyl)heptanehydrazide
PubChem CID171078472
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name7-hydroxy-2,6,6-trimethyl-2-(3-methylphenyl)heptanehydrazide
SMILESCc1cccc(C(C)(CCCC(C)(C)CO)C(=O)NN)c1
InChIInChI=1S/C17H28N2O2/c1-13-7-5-8-14(11-13)17(4,15(21)19-18)10-6-9-16(2,3)12-20/h5,7-8,11,20H,6,9-10,12,18H2,1-4H3,(H,19,21)
InChIKeyRGNCMERGQVIMIN-UHFFFAOYSA-N
XLogP2.43
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Related Compounds

methyl 7-hydroxy-2,6,6-trimethyl-2-(3-methylphenyl)heptanoate
CID 171078360
N',2,7,7-tetramethyl-2-(3-methylphenyl)non-8-ynehydrazide
CID 171078875
ethyl 5-amino-2-methyl-2-(3-methylphenyl)pentanoate
CID 117049798
1-bromo-3,7,7-trimethyl-3-(3-methylphenyl)dec-9-yn-2-one
CID 171078953
ethane;methyl 2,7,7-trimethyl-2-(3-methylphenyl)-8-oxooctanoate
CID 171079802
ethyl 4-hydroxy-2-methyl-2-(3-methylphenyl)butanoate
CID 117049965
tert-butyl 2-[3-(2-ethoxy-2-oxoethyl)phenyl]-7-hydroxy-2,6,6-trimethylheptanoate
CID 171077340
butyl 2-[3-(2-ethoxy-2-oxoethoxy)phenyl]-7-hydroxy-2,6,6-trimethylheptanoate
CID 176798709
methyl 4-bromo-2-methyl-2-(3-methylphenyl)butanoate
CID 171077022
2,2-diamino-2-(3-methylphenyl)ethanol
CID 174833042
benzyl 2-[3-(3-ethoxy-3-oxopropyl)phenyl]-8-hydroxy-2,7,7-trimethyloctanoate
CID 171077411
ethane;methyl 2-methyl-2-(3-methylphenyl)oct-7-ynoate
CID 171079377

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2,6,6-trimethyl-2-(3-methylphenyl)heptanehydrazide?
The IUPAC name of 7-hydroxy-2,6,6-trimethyl-2-(3-methylphenyl)heptanehydrazide (CID 171078472) is 7-hydroxy-2,6,6-trimethyl-2-(3-methylphenyl)heptanehydrazide.
What is the SMILES notation for 7-hydroxy-2,6,6-trimethyl-2-(3-methylphenyl)heptanehydrazide?
The canonical SMILES for 7-hydroxy-2,6,6-trimethyl-2-(3-methylphenyl)heptanehydrazide is Cc1cccc(C(C)(CCCC(C)(C)CO)C(=O)NN)c1.
What is the InChIKey of 7-hydroxy-2,6,6-trimethyl-2-(3-methylphenyl)heptanehydrazide?
The InChIKey is RGNCMERGQVIMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13-7-5-8-14(11-13)17(4,15(21)19-18)10-6-9-16(2,3)12-20/h5,7-8,11,20H,6,9-10,12,18H2,1-4H3,(H,19,21).
What are the key properties of 7-hydroxy-2,6,6-trimethyl-2-(3-methylphenyl)heptanehydrazide?
7-hydroxy-2,6,6-trimethyl-2-(3-methylphenyl)heptanehydrazide has a molecular weight of 292.42 g/mol, XLogP of 2.43, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2,6,6-trimethyl-2-(3-methylphenyl)heptanehydrazide is sourced from PubChem (CID 171078472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).