4-[1-(2-methoxyphenyl)propylamino]pyrrolidin-2-one

C14H20N2O2 — CID 114155090

IUPAC4-[1-(2-methoxyphenyl)propylamino]pyrrolidin-2-one
SMILESCCC(NC1CNC(=O)C1)c1ccccc1OC
InChIInChI=1S/C14H20N2O2/c1-3-12(16-10-8-14(17)15-9-10)11-6-4-5-7-13(11)18-2/h4-7,10,12,16H,3,8-9H2,1-2H3,(H,15,17)
InChIKeySSSWVPBZZYABDU-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.62
Rot. Bonds5

About 4-[1-(2-methoxyphenyl)propylamino]pyrrolidin-2-one

4-[1-(2-methoxyphenyl)propylamino]pyrrolidin-2-one (PubChem CID 114155090) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[1-(2-methoxyphenyl)propylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-(2-methoxyphenyl)propylamino]pyrrolidin-2-one
PubChem CID114155090
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-[1-(2-methoxyphenyl)propylamino]pyrrolidin-2-one
SMILESCCC(NC1CNC(=O)C1)c1ccccc1OC
InChIInChI=1S/C14H20N2O2/c1-3-12(16-10-8-14(17)15-9-10)11-6-4-5-7-13(11)18-2/h4-7,10,12,16H,3,8-9H2,1-2H3,(H,15,17)
InChIKeySSSWVPBZZYABDU-UHFFFAOYSA-N
XLogP1.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-phenylpropylamino)piperidin-2-one
CID 63661190
N-[1-(2-methoxyphenyl)propyl]-5-oxopiperazine-2-carboxamide
CID 107434346
4-(1-phenylpentylamino)pyrrolidin-2-one
CID 106183225
1-cyclopropyl-N-[1-(2-methoxyphenyl)propyl]piperidin-4-amine
CID 43791300
N-[1-(2-methoxyphenyl)propyl]oxan-3-amine
CID 63359926
(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
CID 102356404
N-(cyclopropylmethyl)-1-(2-methoxyphenyl)propan-1-amine
CID 43693519
2-methoxy-N-[1-(2-methoxyphenyl)propyl]cyclopentan-1-amine
CID 62086587
3-methoxy-N-[1-(2-methoxyphenyl)propyl]-2,2-dimethylcyclobutan-1-amine
CID 103788453
(4R)-4-(2-methoxyphenyl)pyrrolidin-2-one
CID 15895393
5-[1-(2-methoxy-5-methylphenyl)ethylamino]piperidin-2-one
CID 63663695
N-[1-(2-methoxyphenyl)propyl]-4-methylpyrrolidine-3-carboxamide
CID 63715943

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methoxyphenyl)propylamino]pyrrolidin-2-one?
The IUPAC name of 4-[1-(2-methoxyphenyl)propylamino]pyrrolidin-2-one (CID 114155090) is 4-[1-(2-methoxyphenyl)propylamino]pyrrolidin-2-one.
What is the SMILES notation for 4-[1-(2-methoxyphenyl)propylamino]pyrrolidin-2-one?
The canonical SMILES for 4-[1-(2-methoxyphenyl)propylamino]pyrrolidin-2-one is CCC(NC1CNC(=O)C1)c1ccccc1OC.
What is the InChIKey of 4-[1-(2-methoxyphenyl)propylamino]pyrrolidin-2-one?
The InChIKey is SSSWVPBZZYABDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-12(16-10-8-14(17)15-9-10)11-6-4-5-7-13(11)18-2/h4-7,10,12,16H,3,8-9H2,1-2H3,(H,15,17).
What are the key properties of 4-[1-(2-methoxyphenyl)propylamino]pyrrolidin-2-one?
4-[1-(2-methoxyphenyl)propylamino]pyrrolidin-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methoxyphenyl)propylamino]pyrrolidin-2-one is sourced from PubChem (CID 114155090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).