N'-cyclohexyl-3-methylbutanehydrazide;3-methyl-N'-octadecylbutanehydrazide

C34H70N4O2 — CID 158128916

IUPACN'-cyclohexyl-3-methylbutanehydrazide;3-methyl-N'-octadecylbutanehydrazide
SMILESCC(C)CC(=O)NNC1CCCCC1.CCCCCCCCCCCCCCCCCCNNC(=O)CC(C)C
InChIInChI=1S/C23H48N2O.C11H22N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25-23(26)21-22(2)3;1-9(2)8-11(14)13-12-10-6-4-3-5-7-10/h22,24H,4-21H2,1-3H3,(H,25,26);9-10,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyFSNICXUHHPADSC-UHFFFAOYSA-N
MW566.96 g/mol
LogP8.90
Rot. Bonds24

About N'-cyclohexyl-3-methylbutanehydrazide;3-methyl-N'-octadecylbutanehydrazide

N'-cyclohexyl-3-methylbutanehydrazide;3-methyl-N'-octadecylbutanehydrazide (PubChem CID 158128916) has the molecular formula C34H70N4O2 and a molecular weight of 566.96 g/mol. Its IUPAC name is N'-cyclohexyl-3-methylbutanehydrazide;3-methyl-N'-octadecylbutanehydrazide.

Molecular Properties

Compound NameN'-cyclohexyl-3-methylbutanehydrazide;3-methyl-N'-octadecylbutanehydrazide
PubChem CID158128916
Molecular FormulaC34H70N4O2
Molecular Weight566.96 g/mol
Exact Mass566.55
IUPAC NameN'-cyclohexyl-3-methylbutanehydrazide;3-methyl-N'-octadecylbutanehydrazide
SMILESCC(C)CC(=O)NNC1CCCCC1.CCCCCCCCCCCCCCCCCCNNC(=O)CC(C)C
InChIInChI=1S/C23H48N2O.C11H22N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25-23(26)21-22(2)3;1-9(2)8-11(14)13-12-10-6-4-3-5-7-10/h22,24H,4-21H2,1-3H3,(H,25,26);9-10,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyFSNICXUHHPADSC-UHFFFAOYSA-N
XLogP8.90
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.96
LogP ≤ 58.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclohexyl-3-methylbutanehydrazide
CID 22613406
(2R)-N-cyclohexyl-2-(hexylamino)propanamide
CID 95357979
N-cyclohexyl-3-methylbutanamide;methane
CID 161464891
N-cyclohexyl-2-(hexadecylamino)acetamide
CID 54808904
2-methoxy-N'-tetradecylacetohydrazide
CID 72545005
(2S)-2-(cyclohexylamino)propanoic acid;2-(hexylamino)acetic acid
CID 159723449
N-cyclohexyltetradecanamide
CID 10244853
N-cycloheptylnonanamide
CID 5045141
N-dodecylcyclohexanamine
CID 3679395
1-cyclohexylethyl N-nonylcarbamate
CID 123611049
3-(hexylamino)cyclohexane-1-carboxylic acid
CID 63043531
methyl N-(hexylamino)carbamate
CID 141204686

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-3-methylbutanehydrazide;3-methyl-N'-octadecylbutanehydrazide?
The IUPAC name of N'-cyclohexyl-3-methylbutanehydrazide;3-methyl-N'-octadecylbutanehydrazide (CID 158128916) is N'-cyclohexyl-3-methylbutanehydrazide;3-methyl-N'-octadecylbutanehydrazide.
What is the SMILES notation for N'-cyclohexyl-3-methylbutanehydrazide;3-methyl-N'-octadecylbutanehydrazide?
The canonical SMILES for N'-cyclohexyl-3-methylbutanehydrazide;3-methyl-N'-octadecylbutanehydrazide is CC(C)CC(=O)NNC1CCCCC1.CCCCCCCCCCCCCCCCCCNNC(=O)CC(C)C.
What is the InChIKey of N'-cyclohexyl-3-methylbutanehydrazide;3-methyl-N'-octadecylbutanehydrazide?
The InChIKey is FSNICXUHHPADSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48N2O.C11H22N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25-23(26)21-22(2)3;1-9(2)8-11(14)13-12-10-6-4-3-5-7-10/h22,24H,4-21H2,1-3H3,(H,25,26);9-10,12H,3-8H2,1-2H3,(H,13,14).
What are the key properties of N'-cyclohexyl-3-methylbutanehydrazide;3-methyl-N'-octadecylbutanehydrazide?
N'-cyclohexyl-3-methylbutanehydrazide;3-methyl-N'-octadecylbutanehydrazide has a molecular weight of 566.96 g/mol, XLogP of 8.90, 24 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-3-methylbutanehydrazide;3-methyl-N'-octadecylbutanehydrazide is sourced from PubChem (CID 158128916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).