N-(3-aminopropyl)-N-cyclobutyl-2-methylbenzamide

C15H22N2O — CID 102873748

IUPACN-(3-aminopropyl)-N-cyclobutyl-2-methylbenzamide
SMILESCc1ccccc1C(=O)N(CCCN)C1CCC1
InChIInChI=1S/C15H22N2O/c1-12-6-2-3-9-14(12)15(18)17(11-5-10-16)13-7-4-8-13/h2-3,6,9,13H,4-5,7-8,10-11,16H2,1H3
InChIKeyUVRNLSUZRQUKQU-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.34
Rot. Bonds5

About N-(3-aminopropyl)-N-cyclobutyl-2-methylbenzamide

N-(3-aminopropyl)-N-cyclobutyl-2-methylbenzamide (PubChem CID 102873748) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclobutyl-2-methylbenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclobutyl-2-methylbenzamide
PubChem CID102873748
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(3-aminopropyl)-N-cyclobutyl-2-methylbenzamide
SMILESCc1ccccc1C(=O)N(CCCN)C1CCC1
InChIInChI=1S/C15H22N2O/c1-12-6-2-3-9-14(12)15(18)17(11-5-10-16)13-7-4-8-13/h2-3,6,9,13H,4-5,7-8,10-11,16H2,1H3
InChIKeyUVRNLSUZRQUKQU-UHFFFAOYSA-N
XLogP2.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-N-cyclopentyl-2-methylbenzamide
CID 43319365
N-(2-bromoethyl)-N-cyclopentyl-2-methylbenzamide
CID 80658813
N-(3-aminopropyl)-N-cyclopentyl-3-methylpyridine-2-carboxamide
CID 62338909
N-(3-aminopropyl)-N-cyclohexyl-2,6-dimethylpyridine-3-carboxamide
CID 62830761
N-(3-aminopropyl)-N-cyclohexyl-2-fluoro-5-methylbenzamide
CID 62515468
N-(2-aminoethyl)-N-cyclobutyl-3-hydroxy-2-methylbenzamide
CID 102874159
N-(3-aminopropyl)-N-cyclopentyl-2,4,6-trimethylbenzamide
CID 43319342
N-(3-aminopropyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide
CID 82798367
N-(3-aminopropyl)-N-cyclopentyl-2-methoxy-5-methylbenzamide
CID 62504725
N-(3-aminopropyl)-N-cyclopentyl-1,3-dimethylpyrazole-4-carboxamide
CID 102801032
N-(3-aminopropyl)-N-cyclobutylquinoline-5-carboxamide
CID 102873955
N-(2-aminoethyl)-N-cyclopentyl-4-hydroxy-2-methylbenzamide
CID 107670547

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cyclobutyl-2-methylbenzamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclobutyl-2-methylbenzamide (CID 102873748) is N-(3-aminopropyl)-N-cyclobutyl-2-methylbenzamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclobutyl-2-methylbenzamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclobutyl-2-methylbenzamide is Cc1ccccc1C(=O)N(CCCN)C1CCC1.
What is the InChIKey of N-(3-aminopropyl)-N-cyclobutyl-2-methylbenzamide?
The InChIKey is UVRNLSUZRQUKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-6-2-3-9-14(12)15(18)17(11-5-10-16)13-7-4-8-13/h2-3,6,9,13H,4-5,7-8,10-11,16H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-cyclobutyl-2-methylbenzamide?
N-(3-aminopropyl)-N-cyclobutyl-2-methylbenzamide has a molecular weight of 246.35 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cyclobutyl-2-methylbenzamide is sourced from PubChem (CID 102873748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).