N-(azetidin-3-yl)-3-(2-methylphenyl)propanamide

C13H18N2O — CID 66186748

IUPACN-(azetidin-3-yl)-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CCC(=O)NC1CNC1
InChIInChI=1S/C13H18N2O/c1-10-4-2-3-5-11(10)6-7-13(16)15-12-8-14-9-12/h2-5,12,14H,6-9H2,1H3,(H,15,16)
InChIKeyXTFQKHRHWQZPTN-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.02
Rot. Bonds4

About N-(azetidin-3-yl)-3-(2-methylphenyl)propanamide

N-(azetidin-3-yl)-3-(2-methylphenyl)propanamide (PubChem CID 66186748) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(azetidin-3-yl)-3-(2-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-3-(2-methylphenyl)propanamide
PubChem CID66186748
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-(azetidin-3-yl)-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CCC(=O)NC1CNC1
InChIInChI=1S/C13H18N2O/c1-10-4-2-3-5-11(10)6-7-13(16)15-12-8-14-9-12/h2-5,12,14H,6-9H2,1H3,(H,15,16)
InChIKeyXTFQKHRHWQZPTN-UHFFFAOYSA-N
XLogP1.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 62365696
N-(1-ethylsulfonylpiperidin-4-yl)-3-(2-methylphenyl)propanamide
CID 110823020
3-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120556745
3-(2-methylphenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)propanamide
CID 110736722
2-[3-(2-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 64812084
N-[(1-acetylpiperidin-4-yl)methyl]-3-(2-methylphenyl)propanamide
CID 110736193
N-(2-aminoethyl)-3-(2-methylphenyl)propanamide
CID 62367065
3-(2-methylphenyl)-N-(2-methylpropyl)propanamide
CID 63283832
2-[3-(2-methylphenyl)propanoylamino]ethanethioic S-acid
CID 3036184
3-(2,4-dimethylphenyl)-N-piperidin-3-ylpropanamide;hydrochloride
CID 91645265
3-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119513702
N'-(3-aminopropanoyl)-3-(2-methylphenyl)propanehydrazide
CID 94268169

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-3-(2-methylphenyl)propanamide?
The IUPAC name of N-(azetidin-3-yl)-3-(2-methylphenyl)propanamide (CID 66186748) is N-(azetidin-3-yl)-3-(2-methylphenyl)propanamide.
What is the SMILES notation for N-(azetidin-3-yl)-3-(2-methylphenyl)propanamide?
The canonical SMILES for N-(azetidin-3-yl)-3-(2-methylphenyl)propanamide is Cc1ccccc1CCC(=O)NC1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-3-(2-methylphenyl)propanamide?
The InChIKey is XTFQKHRHWQZPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10-4-2-3-5-11(10)6-7-13(16)15-12-8-14-9-12/h2-5,12,14H,6-9H2,1H3,(H,15,16).
What are the key properties of N-(azetidin-3-yl)-3-(2-methylphenyl)propanamide?
N-(azetidin-3-yl)-3-(2-methylphenyl)propanamide has a molecular weight of 218.30 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-3-(2-methylphenyl)propanamide is sourced from PubChem (CID 66186748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).