N'-tert-butyl-N'-(cyclobutanecarbonyl)-4-ethylbenzohydrazide

C18H26N2O2 — CID 102122876

IUPACN'-tert-butyl-N'-(cyclobutanecarbonyl)-4-ethylbenzohydrazide
SMILESCCc1ccc(C(=O)NN(C(=O)C2CCC2)C(C)(C)C)cc1
InChIInChI=1S/C18H26N2O2/c1-5-13-9-11-14(12-10-13)16(21)19-20(18(2,3)4)17(22)15-7-6-8-15/h9-12,15H,5-8H2,1-4H3,(H,19,21)
InChIKeyNRCCECQTIHWOJI-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.32
Rot. Bonds3

About N'-tert-butyl-N'-(cyclobutanecarbonyl)-4-ethylbenzohydrazide

N'-tert-butyl-N'-(cyclobutanecarbonyl)-4-ethylbenzohydrazide (PubChem CID 102122876) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N'-tert-butyl-N'-(cyclobutanecarbonyl)-4-ethylbenzohydrazide.

Molecular Properties

Compound NameN'-tert-butyl-N'-(cyclobutanecarbonyl)-4-ethylbenzohydrazide
PubChem CID102122876
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN'-tert-butyl-N'-(cyclobutanecarbonyl)-4-ethylbenzohydrazide
SMILESCCc1ccc(C(=O)NN(C(=O)C2CCC2)C(C)(C)C)cc1
InChIInChI=1S/C18H26N2O2/c1-5-13-9-11-14(12-10-13)16(21)19-20(18(2,3)4)17(22)15-7-6-8-15/h9-12,15H,5-8H2,1-4H3,(H,19,21)
InChIKeyNRCCECQTIHWOJI-UHFFFAOYSA-N
XLogP3.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-tert-butyl-N'-(4-chlorobenzoyl)-4-ethylbenzohydrazide;trihydrochloride
CID 70294476
3-[(4-ethylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043093
N-tert-butyl-2,4-dichloro-N'-(4-ethylbenzoyl)benzohydrazide
CID 70428217
N-[(4-ethylphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630877
ethane;4-ethyl-N-hydroxybenzamide
CID 142831550
2-cyclopropyl-2-[(4-ethylbenzoyl)amino]propanoic acid
CID 43341278
N'-tert-butyl-N'-(4-ethylbenzoyl)pyrimidine-2-carbohydrazide
CID 67934022
N-tert-butyl-3-ethenyl-N'-(4-ethylbenzoyl)benzohydrazide;trihydrochloride
CID 70294631
(E)-3-cyclobutyl-3-(4-ethylphenyl)prop-2-enoic acid
CID 82288866
N-[4-[4-(cyclohexanecarbonyl)phenyl]phenyl]-4-ethylbenzamide
CID 143314196
N-(2-cyanopropan-2-yl)-4-ethylbenzamide
CID 60967523
(4-ethylphenyl)-(4-methylcyclohexyl)methanone
CID 63409487

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N'-(cyclobutanecarbonyl)-4-ethylbenzohydrazide?
The IUPAC name of N'-tert-butyl-N'-(cyclobutanecarbonyl)-4-ethylbenzohydrazide (CID 102122876) is N'-tert-butyl-N'-(cyclobutanecarbonyl)-4-ethylbenzohydrazide.
What is the SMILES notation for N'-tert-butyl-N'-(cyclobutanecarbonyl)-4-ethylbenzohydrazide?
The canonical SMILES for N'-tert-butyl-N'-(cyclobutanecarbonyl)-4-ethylbenzohydrazide is CCc1ccc(C(=O)NN(C(=O)C2CCC2)C(C)(C)C)cc1.
What is the InChIKey of N'-tert-butyl-N'-(cyclobutanecarbonyl)-4-ethylbenzohydrazide?
The InChIKey is NRCCECQTIHWOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-5-13-9-11-14(12-10-13)16(21)19-20(18(2,3)4)17(22)15-7-6-8-15/h9-12,15H,5-8H2,1-4H3,(H,19,21).
What are the key properties of N'-tert-butyl-N'-(cyclobutanecarbonyl)-4-ethylbenzohydrazide?
N'-tert-butyl-N'-(cyclobutanecarbonyl)-4-ethylbenzohydrazide has a molecular weight of 302.42 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N'-(cyclobutanecarbonyl)-4-ethylbenzohydrazide is sourced from PubChem (CID 102122876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).