N-(azetidin-3-yl)-N-ethyl-4-propan-2-ylbenzamide

C15H22N2O — CID 66184231

IUPACN-(azetidin-3-yl)-N-ethyl-4-propan-2-ylbenzamide
SMILESCCN(C(=O)c1ccc(C(C)C)cc1)C1CNC1
InChIInChI=1S/C15H22N2O/c1-4-17(14-9-16-10-14)15(18)13-7-5-12(6-8-13)11(2)3/h5-8,11,14,16H,4,9-10H2,1-3H3
InChIKeyCVLLPNDJWCTGRX-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.24
Rot. Bonds4

About N-(azetidin-3-yl)-N-ethyl-4-propan-2-ylbenzamide

N-(azetidin-3-yl)-N-ethyl-4-propan-2-ylbenzamide (PubChem CID 66184231) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N-ethyl-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N-ethyl-4-propan-2-ylbenzamide
PubChem CID66184231
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(azetidin-3-yl)-N-ethyl-4-propan-2-ylbenzamide
SMILESCCN(C(=O)c1ccc(C(C)C)cc1)C1CNC1
InChIInChI=1S/C15H22N2O/c1-4-17(14-9-16-10-14)15(18)13-7-5-12(6-8-13)11(2)3/h5-8,11,14,16H,4,9-10H2,1-3H3
InChIKeyCVLLPNDJWCTGRX-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-piperidin-4-yl-4-propan-2-ylbenzamide
CID 60805737
N-piperidin-3-yl-4-propan-2-yl-N-propylbenzamide
CID 60807585
N-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzamide
CID 66184040
4-chloro-N-ethyl-N-piperidin-4-ylbenzamide
CID 54923441
N-(azetidin-3-yl)-N-ethyl-3-methylbenzamide
CID 66181460
N-(azetidin-3-yl)-2-chloro-N-ethylbenzamide
CID 66182738
N-(2-aminoethyl)-N-cyclopentyl-4-propan-2-ylbenzamide
CID 63755155
N-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzamide
CID 60806173
4-N-cyclopropyl-4-N-ethylbenzene-1,4-dicarboxamide
CID 47155368
4-ethoxy-N-ethyl-N-piperidin-3-ylbenzamide
CID 60807243
N-(azetidin-3-yl)-N-ethyl-5-hydroxypyridine-3-carboxamide
CID 66181905
N-ethyl-3-hydroxy-4-methyl-N-pyrrolidin-3-ylbenzamide
CID 60806005

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-N-ethyl-4-propan-2-ylbenzamide?
The IUPAC name of N-(azetidin-3-yl)-N-ethyl-4-propan-2-ylbenzamide (CID 66184231) is N-(azetidin-3-yl)-N-ethyl-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(azetidin-3-yl)-N-ethyl-4-propan-2-ylbenzamide?
The canonical SMILES for N-(azetidin-3-yl)-N-ethyl-4-propan-2-ylbenzamide is CCN(C(=O)c1ccc(C(C)C)cc1)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-N-ethyl-4-propan-2-ylbenzamide?
The InChIKey is CVLLPNDJWCTGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-17(14-9-16-10-14)15(18)13-7-5-12(6-8-13)11(2)3/h5-8,11,14,16H,4,9-10H2,1-3H3.
What are the key properties of N-(azetidin-3-yl)-N-ethyl-4-propan-2-ylbenzamide?
N-(azetidin-3-yl)-N-ethyl-4-propan-2-ylbenzamide has a molecular weight of 246.35 g/mol, XLogP of 2.24, 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)-N-ethyl-4-propan-2-ylbenzamide is sourced from PubChem (CID 66184231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).