2,4-dimethyl-N-[(1-propan-2-ylazetidin-3-yl)methyl]benzamide

C16H24N2O — CID 178151169

IUPAC2,4-dimethyl-N-[(1-propan-2-ylazetidin-3-yl)methyl]benzamide
SMILESCc1ccc(C(=O)NCC2CN(C(C)C)C2)c(C)c1
InChIInChI=1S/C16H24N2O/c1-11(2)18-9-14(10-18)8-17-16(19)15-6-5-12(3)7-13(15)4/h5-7,11,14H,8-10H2,1-4H3,(H,17,19)
InChIKeyJQPRLKAIHHPYJL-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.37
Rot. Bonds4

About 2,4-dimethyl-N-[(1-propan-2-ylazetidin-3-yl)methyl]benzamide

2,4-dimethyl-N-[(1-propan-2-ylazetidin-3-yl)methyl]benzamide (PubChem CID 178151169) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(1-propan-2-ylazetidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(1-propan-2-ylazetidin-3-yl)methyl]benzamide
PubChem CID178151169
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2,4-dimethyl-N-[(1-propan-2-ylazetidin-3-yl)methyl]benzamide
SMILESCc1ccc(C(=O)NCC2CN(C(C)C)C2)c(C)c1
InChIInChI=1S/C16H24N2O/c1-11(2)18-9-14(10-18)8-17-16(19)15-6-5-12(3)7-13(15)4/h5-7,11,14H,8-10H2,1-4H3,(H,17,19)
InChIKeyJQPRLKAIHHPYJL-UHFFFAOYSA-N
XLogP2.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(1-propan-2-ylazetidin-3-yl)methyl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[(1-propan-2-ylazetidin-3-yl)methyl]benzamide (CID 178151169) is 2,4-dimethyl-N-[(1-propan-2-ylazetidin-3-yl)methyl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[(1-propan-2-ylazetidin-3-yl)methyl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[(1-propan-2-ylazetidin-3-yl)methyl]benzamide is Cc1ccc(C(=O)NCC2CN(C(C)C)C2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[(1-propan-2-ylazetidin-3-yl)methyl]benzamide?
The InChIKey is JQPRLKAIHHPYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11(2)18-9-14(10-18)8-17-16(19)15-6-5-12(3)7-13(15)4/h5-7,11,14H,8-10H2,1-4H3,(H,17,19).
What are the key properties of 2,4-dimethyl-N-[(1-propan-2-ylazetidin-3-yl)methyl]benzamide?
2,4-dimethyl-N-[(1-propan-2-ylazetidin-3-yl)methyl]benzamide has a molecular weight of 260.38 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(1-propan-2-ylazetidin-3-yl)methyl]benzamide is sourced from PubChem (CID 178151169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).