N-(cyclobutylmethyl)-2-hydrazinyl-N,5-dimethylbenzamide

C14H21N3O — CID 62856101

IUPACN-(cyclobutylmethyl)-2-hydrazinyl-N,5-dimethylbenzamide
SMILESCc1ccc(NN)c(C(=O)N(C)CC2CCC2)c1
InChIInChI=1S/C14H21N3O/c1-10-6-7-13(16-15)12(8-10)14(18)17(2)9-11-4-3-5-11/h6-8,11,16H,3-5,9,15H2,1-2H3
InChIKeyFYTCEAMQZBOURY-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.15
Rot. Bonds4

About N-(cyclobutylmethyl)-2-hydrazinyl-N,5-dimethylbenzamide

N-(cyclobutylmethyl)-2-hydrazinyl-N,5-dimethylbenzamide (PubChem CID 62856101) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2-hydrazinyl-N,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2-hydrazinyl-N,5-dimethylbenzamide
PubChem CID62856101
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-(cyclobutylmethyl)-2-hydrazinyl-N,5-dimethylbenzamide
SMILESCc1ccc(NN)c(C(=O)N(C)CC2CCC2)c1
InChIInChI=1S/C14H21N3O/c1-10-6-7-13(16-15)12(8-10)14(18)17(2)9-11-4-3-5-11/h6-8,11,16H,3-5,9,15H2,1-2H3
InChIKeyFYTCEAMQZBOURY-UHFFFAOYSA-N
XLogP2.15
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopentylmethyl)-2-hydrazinyl-N-methylbenzamide
CID 63656583
N-cyclopentyl-2-hydrazinyl-N,5-dimethylbenzamide
CID 62513481
N-(cyclopropylmethyl)-N,5-dimethyl-2-(propylamino)benzamide
CID 62509873
N-(cyclopropylmethyl)-2-hydrazinyl-5-methyl-N-propylbenzamide
CID 62511311
N-[2-(dimethylamino)ethyl]-2-hydrazinyl-N,5-dimethylbenzamide
CID 63726038
N-(2-cyclopentylethyl)-2-hydrazinyl-5-methylbenzamide
CID 62509764
2-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-N,5-dimethylbenzamide
CID 79385433
N-butyl-2-hydrazinyl-N,5-dimethylbenzamide
CID 62510784
2-hydrazinyl-N-(2-hydroxycyclohexyl)-N,5-dimethylbenzamide
CID 102636877
N-cyclopropyl-2-hydrazinyl-5-methyl-N-(3-methylbutyl)benzamide
CID 78991041
N-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-4-nitrobenzamide
CID 62856100
5-amino-N-(cyclopentylmethyl)-N,2-dimethylbenzamide
CID 63632081

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-2-hydrazinyl-N,5-dimethylbenzamide?
The IUPAC name of N-(cyclobutylmethyl)-2-hydrazinyl-N,5-dimethylbenzamide (CID 62856101) is N-(cyclobutylmethyl)-2-hydrazinyl-N,5-dimethylbenzamide.
What is the SMILES notation for N-(cyclobutylmethyl)-2-hydrazinyl-N,5-dimethylbenzamide?
The canonical SMILES for N-(cyclobutylmethyl)-2-hydrazinyl-N,5-dimethylbenzamide is Cc1ccc(NN)c(C(=O)N(C)CC2CCC2)c1.
What is the InChIKey of N-(cyclobutylmethyl)-2-hydrazinyl-N,5-dimethylbenzamide?
The InChIKey is FYTCEAMQZBOURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-6-7-13(16-15)12(8-10)14(18)17(2)9-11-4-3-5-11/h6-8,11,16H,3-5,9,15H2,1-2H3.
What are the key properties of N-(cyclobutylmethyl)-2-hydrazinyl-N,5-dimethylbenzamide?
N-(cyclobutylmethyl)-2-hydrazinyl-N,5-dimethylbenzamide has a molecular weight of 247.34 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2-hydrazinyl-N,5-dimethylbenzamide is sourced from PubChem (CID 62856101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).