2-[azetidin-3-yl(propyl)amino]-4-methylbenzamide

C14H21N3O — CID 66215739

IUPAC2-[azetidin-3-yl(propyl)amino]-4-methylbenzamide
SMILESCCCN(c1cc(C)ccc1C(N)=O)C1CNC1
InChIInChI=1S/C14H21N3O/c1-3-6-17(11-8-16-9-11)13-7-10(2)4-5-12(13)14(15)18/h4-5,7,11,16H,3,6,8-9H2,1-2H3,(H2,15,18)
InChIKeyVMPVNCDFSLVHRS-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.28
Rot. Bonds5

About 2-[azetidin-3-yl(propyl)amino]-4-methylbenzamide

2-[azetidin-3-yl(propyl)amino]-4-methylbenzamide (PubChem CID 66215739) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[azetidin-3-yl(propyl)amino]-4-methylbenzamide.

Molecular Properties

Compound Name2-[azetidin-3-yl(propyl)amino]-4-methylbenzamide
PubChem CID66215739
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-[azetidin-3-yl(propyl)amino]-4-methylbenzamide
SMILESCCCN(c1cc(C)ccc1C(N)=O)C1CNC1
InChIInChI=1S/C14H21N3O/c1-3-6-17(11-8-16-9-11)13-7-10(2)4-5-12(13)14(15)18/h4-5,7,11,16H,3,6,8-9H2,1-2H3,(H2,15,18)
InChIKeyVMPVNCDFSLVHRS-UHFFFAOYSA-N
XLogP1.28
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[azetidin-3-yl(propyl)amino]-4-methylbenzamide?
The IUPAC name of 2-[azetidin-3-yl(propyl)amino]-4-methylbenzamide (CID 66215739) is 2-[azetidin-3-yl(propyl)amino]-4-methylbenzamide.
What is the SMILES notation for 2-[azetidin-3-yl(propyl)amino]-4-methylbenzamide?
The canonical SMILES for 2-[azetidin-3-yl(propyl)amino]-4-methylbenzamide is CCCN(c1cc(C)ccc1C(N)=O)C1CNC1.
What is the InChIKey of 2-[azetidin-3-yl(propyl)amino]-4-methylbenzamide?
The InChIKey is VMPVNCDFSLVHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-6-17(11-8-16-9-11)13-7-10(2)4-5-12(13)14(15)18/h4-5,7,11,16H,3,6,8-9H2,1-2H3,(H2,15,18).
What are the key properties of 2-[azetidin-3-yl(propyl)amino]-4-methylbenzamide?
2-[azetidin-3-yl(propyl)amino]-4-methylbenzamide has a molecular weight of 247.34 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azetidin-3-yl(propyl)amino]-4-methylbenzamide is sourced from PubChem (CID 66215739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).