N'-tert-butyl-3-methyl-N'-octanoylbenzohydrazide

C20H32N2O2 — CID 67921776

IUPACN'-tert-butyl-3-methyl-N'-octanoylbenzohydrazide
SMILESCCCCCCCC(=O)N(NC(=O)c1cccc(C)c1)C(C)(C)C
InChIInChI=1S/C20H32N2O2/c1-6-7-8-9-10-14-18(23)22(20(3,4)5)21-19(24)17-13-11-12-16(2)15-17/h11-13,15H,6-10,14H2,1-5H3,(H,21,24)
InChIKeySFJREPLTRPCTAG-UHFFFAOYSA-N
MW332.49 g/mol
LogP4.63
Rot. Bonds7

About N'-tert-butyl-3-methyl-N'-octanoylbenzohydrazide

N'-tert-butyl-3-methyl-N'-octanoylbenzohydrazide (PubChem CID 67921776) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N'-tert-butyl-3-methyl-N'-octanoylbenzohydrazide.

Molecular Properties

Compound NameN'-tert-butyl-3-methyl-N'-octanoylbenzohydrazide
PubChem CID67921776
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC NameN'-tert-butyl-3-methyl-N'-octanoylbenzohydrazide
SMILESCCCCCCCC(=O)N(NC(=O)c1cccc(C)c1)C(C)(C)C
InChIInChI=1S/C20H32N2O2/c1-6-7-8-9-10-14-18(23)22(20(3,4)5)21-19(24)17-13-11-12-16(2)15-17/h11-13,15H,6-10,14H2,1-5H3,(H,21,24)
InChIKeySFJREPLTRPCTAG-UHFFFAOYSA-N
XLogP4.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'-tert-butyl-N'-decanoyl-3-fluorobenzohydrazide
CID 67922216
N'-tert-butyl-N'-undecanoylbenzohydrazide
CID 67922028
N'-tert-butyl-N'-decanoylbenzohydrazide
CID 67921881
N'-tert-butyl-4-chloro-N'-heptanoylbenzohydrazide
CID 67921777
3-methyl-N'-octanoylbenzohydrazide
CID 2218282
N'-tert-butyl-3,5-dimethyl-N'-(3-methylbenzoyl)benzohydrazide
CID 70428537
3-bromo-N-tert-butyl-N'-(3-methylbenzoyl)thiophene-2-carbohydrazide
CID 67899302
1-methyl-3-oct-1-en-2-ylbenzene
CID 102357647
N'-tert-butyl-N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 23164401
3-methyl-N-methylsulfonylbenzamide;nonane;pentane
CID 143716658
N-tert-butyl-N'-(4-tert-butylbenzoyl)-3-methylbenzohydrazide
CID 70427413
nonyl 3-[(3-methylbenzoyl)amino]propanoate
CID 91710771

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-3-methyl-N'-octanoylbenzohydrazide?
The IUPAC name of N'-tert-butyl-3-methyl-N'-octanoylbenzohydrazide (CID 67921776) is N'-tert-butyl-3-methyl-N'-octanoylbenzohydrazide.
What is the SMILES notation for N'-tert-butyl-3-methyl-N'-octanoylbenzohydrazide?
The canonical SMILES for N'-tert-butyl-3-methyl-N'-octanoylbenzohydrazide is CCCCCCCC(=O)N(NC(=O)c1cccc(C)c1)C(C)(C)C.
What is the InChIKey of N'-tert-butyl-3-methyl-N'-octanoylbenzohydrazide?
The InChIKey is SFJREPLTRPCTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-6-7-8-9-10-14-18(23)22(20(3,4)5)21-19(24)17-13-11-12-16(2)15-17/h11-13,15H,6-10,14H2,1-5H3,(H,21,24).
What are the key properties of N'-tert-butyl-3-methyl-N'-octanoylbenzohydrazide?
N'-tert-butyl-3-methyl-N'-octanoylbenzohydrazide has a molecular weight of 332.49 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-3-methyl-N'-octanoylbenzohydrazide is sourced from PubChem (CID 67921776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).