N-(azetidin-3-yl)-3,4-dimethyl-N-propylbenzamide

C15H22N2O — CID 66215454

IUPACN-(azetidin-3-yl)-3,4-dimethyl-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(C)c(C)c1)C1CNC1
InChIInChI=1S/C15H22N2O/c1-4-7-17(14-9-16-10-14)15(18)13-6-5-11(2)12(3)8-13/h5-6,8,14,16H,4,7,9-10H2,1-3H3
InChIKeyJQACUYPJVFNLDK-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.13
Rot. Bonds4

About N-(azetidin-3-yl)-3,4-dimethyl-N-propylbenzamide

N-(azetidin-3-yl)-3,4-dimethyl-N-propylbenzamide (PubChem CID 66215454) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(azetidin-3-yl)-3,4-dimethyl-N-propylbenzamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-3,4-dimethyl-N-propylbenzamide
PubChem CID66215454
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(azetidin-3-yl)-3,4-dimethyl-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(C)c(C)c1)C1CNC1
InChIInChI=1S/C15H22N2O/c1-4-7-17(14-9-16-10-14)15(18)13-6-5-11(2)12(3)8-13/h5-6,8,14,16H,4,7,9-10H2,1-3H3
InChIKeyJQACUYPJVFNLDK-UHFFFAOYSA-N
XLogP2.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(azetidin-3-yl)-3-bromo-4-fluoro-N-propylbenzamide
CID 107956199
4-fluoro-3-methyl-N-piperidin-3-yl-N-propylbenzamide
CID 63209531
N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethylbenzamide
CID 43576906
3-methoxy-4-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823113
N-cyclopropyl-3-methyl-4-(methylamino)-N-propylbenzamide
CID 63210089
N-cyclopropyl-4-(ethylamino)-3-methyl-N-propylbenzamide
CID 63210133
4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119822992
3-methyl-4-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824847
N-(azetidin-3-yl)-2-hydroxy-3-methyl-N-propylbenzamide
CID 66184160
2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 60805843
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-3,4-dimethylbenzamide
CID 7259541
N-propyl-N-pyrrolidin-3-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 119529985

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-3,4-dimethyl-N-propylbenzamide?
The IUPAC name of N-(azetidin-3-yl)-3,4-dimethyl-N-propylbenzamide (CID 66215454) is N-(azetidin-3-yl)-3,4-dimethyl-N-propylbenzamide.
What is the SMILES notation for N-(azetidin-3-yl)-3,4-dimethyl-N-propylbenzamide?
The canonical SMILES for N-(azetidin-3-yl)-3,4-dimethyl-N-propylbenzamide is CCCN(C(=O)c1ccc(C)c(C)c1)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-3,4-dimethyl-N-propylbenzamide?
The InChIKey is JQACUYPJVFNLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-7-17(14-9-16-10-14)15(18)13-6-5-11(2)12(3)8-13/h5-6,8,14,16H,4,7,9-10H2,1-3H3.
What are the key properties of N-(azetidin-3-yl)-3,4-dimethyl-N-propylbenzamide?
N-(azetidin-3-yl)-3,4-dimethyl-N-propylbenzamide has a molecular weight of 246.35 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-3,4-dimethyl-N-propylbenzamide is sourced from PubChem (CID 66215454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).