4-[2-(azetidin-3-yl)propanoylamino]-3-methylbenzamide

C14H19N3O2 — CID 116675477

IUPAC4-[2-(azetidin-3-yl)propanoylamino]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1NC(=O)C(C)C1CNC1
InChIInChI=1S/C14H19N3O2/c1-8-5-10(13(15)18)3-4-12(8)17-14(19)9(2)11-6-16-7-11/h3-5,9,11,16H,6-7H2,1-2H3,(H2,15,18)(H,17,19)
InChIKeyJZPLSHBMTXZYIO-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.89
Rot. Bonds4

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

4-[2-(azetidin-3-yl)propanoylamino]-3-methylbenzamide (PubChem CID 116675477) has the molecular formula C14H19N3O2 and a molecular weight of 261.33 g/mol. Its IUPAC name is 4-[2-(azetidin-3-yl)propanoylamino]-3-methylbenzamide.

Molecular Properties

Compound Name4-[2-(azetidin-3-yl)propanoylamino]-3-methylbenzamide
PubChem CID116675477
Molecular FormulaC14H19N3O2
Molecular Weight261.33 g/mol
Exact Mass261.15
IUPAC Name4-[2-(azetidin-3-yl)propanoylamino]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1NC(=O)C(C)C1CNC1
InChIInChI=1S/C14H19N3O2/c1-8-5-10(13(15)18)3-4-12(8)17-14(19)9(2)11-6-16-7-11/h3-5,9,11,16H,6-7H2,1-2H3,(H2,15,18)(H,17,19)
InChIKeyJZPLSHBMTXZYIO-UHFFFAOYSA-N
XLogP0.89
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-carbamoyl-2-methylphenyl)pyrrolidine-3-carboxamide
CID 63007219
2-(azetidin-3-yl)-N-(2,4-dibromophenyl)propanamide
CID 116675274
N-(4-carbamoyl-2-methylphenyl)piperidine-4-carboxamide
CID 43706641
4-(2-aminobutanoylamino)-3-methylbenzamide
CID 43706667
2-(azetidin-3-yl)-N-[2,4-di(propan-2-yl)phenyl]propanamide
CID 116675423
4-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-methylbenzamide
CID 61178927
2-(azetidin-3-yl)-N-(4,5-dimethyl-2-nitrophenyl)propanamide
CID 116677616
2-(azetidin-3-yl)-N-(2-iodophenyl)propanamide
CID 116674715
4-[(2-chloro-2-phenylacetyl)amino]-3-methylbenzamide
CID 43698893
5-[2-(azetidin-3-yl)propanoylamino]-2-fluorobenzamide
CID 116675472
N-(4-acetamidophenyl)-2-(azetidin-3-yl)propanamide
CID 116674626
4-[(1-aminocyclohexanecarbonyl)amino]-3-methylbenzamide
CID 43706651

Frequently Asked Questions

What is the IUPAC name of 4-[2-(azetidin-3-yl)propanoylamino]-3-methylbenzamide?
The IUPAC name of 4-[2-(azetidin-3-yl)propanoylamino]-3-methylbenzamide (CID 116675477) is 4-[2-(azetidin-3-yl)propanoylamino]-3-methylbenzamide.
What is the SMILES notation for 4-[2-(azetidin-3-yl)propanoylamino]-3-methylbenzamide?
The canonical SMILES for 4-[2-(azetidin-3-yl)propanoylamino]-3-methylbenzamide is Cc1cc(C(N)=O)ccc1NC(=O)C(C)C1CNC1.
What is the InChIKey of 4-[2-(azetidin-3-yl)propanoylamino]-3-methylbenzamide?
The InChIKey is JZPLSHBMTXZYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-8-5-10(13(15)18)3-4-12(8)17-14(19)9(2)11-6-16-7-11/h3-5,9,11,16H,6-7H2,1-2H3,(H2,15,18)(H,17,19).
What are the key properties of 4-[2-(azetidin-3-yl)propanoylamino]-3-methylbenzamide?
4-[2-(azetidin-3-yl)propanoylamino]-3-methylbenzamide has a molecular weight of 261.33 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(azetidin-3-yl)propanoylamino]-3-methylbenzamide is sourced from PubChem (CID 116675477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).