N-[2-(azetidin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)propanamide

C15H20N2O2 — CID 60610713

IUPACN-[2-(azetidin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCC(=O)N2CCC2)cc1
InChIInChI=1S/C15H20N2O2/c1-12-3-5-13(6-4-12)7-8-14(18)16-11-15(19)17-9-2-10-17/h3-6H,2,7-11H2,1H3,(H,16,18)
InChIKeyUARHATFOHSLHBY-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.28
Rot. Bonds5

About N-[2-(azetidin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)propanamide

N-[2-(azetidin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)propanamide (PubChem CID 60610713) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[2-(azetidin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(azetidin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)propanamide
PubChem CID60610713
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[2-(azetidin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCC(=O)N2CCC2)cc1
InChIInChI=1S/C15H20N2O2/c1-12-3-5-13(6-4-12)7-8-14(18)16-11-15(19)17-9-2-10-17/h3-6H,2,7-11H2,1H3,(H,16,18)
InChIKeyUARHATFOHSLHBY-UHFFFAOYSA-N
XLogP1.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[3-(4-methylphenyl)propanoylamino]acetyl]piperidine-4-carboxylic acid
CID 119166509
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)propanamide
CID 119379387
6-[2-[3-(4-methylphenyl)propanoylamino]acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175164
3-(4-methylphenyl)-1-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536889
N-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride
CID 120657952
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(4-methylphenyl)propanamide
CID 110306324
N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride
CID 120806432
N-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride
CID 119540335
N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide
CID 119663051
2-[3-(4-methylphenyl)propanoylamino]acetic acid
CID 43354539
tert-butyl N-[2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]-2-oxoethyl]carbamate
CID 108532880
1-[4-(2-methoxyacetyl)-1,4-diazepan-1-yl]-3-(4-methylphenyl)propan-1-one
CID 108547860

Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of N-[2-(azetidin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)propanamide (CID 60610713) is N-[2-(azetidin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[2-(azetidin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-[2-(azetidin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)NCC(=O)N2CCC2)cc1.
What is the InChIKey of N-[2-(azetidin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)propanamide?
The InChIKey is UARHATFOHSLHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-12-3-5-13(6-4-12)7-8-14(18)16-11-15(19)17-9-2-10-17/h3-6H,2,7-11H2,1H3,(H,16,18).
What are the key properties of N-[2-(azetidin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)propanamide?
N-[2-(azetidin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)propanamide has a molecular weight of 260.34 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 60610713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).