1-(4-ethylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride

C19H28ClN3O2 — CID 119650075

IUPAC1-(4-ethylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
SMILESCCc1ccc(N2CC(C(=O)N3CCCC3CNC)CC2=O)cc1.Cl
InChIInChI=1S/C19H27N3O2.ClH/c1-3-14-6-8-16(9-7-14)22-13-15(11-18(22)23)19(24)21-10-4-5-17(21)12-20-2;/h6-9,15,17,20H,3-5,10-13H2,1-2H3;1H
InChIKeyBGTYWEZNSSRFAP-UHFFFAOYSA-N
MW365.91 g/mol
LogP2.23
Rot. Bonds5

About 1-(4-ethylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride

1-(4-ethylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride (PubChem CID 119650075) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-(4-ethylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
PubChem CID119650075
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC Name1-(4-ethylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
SMILESCCc1ccc(N2CC(C(=O)N3CCCC3CNC)CC2=O)cc1.Cl
InChIInChI=1S/C19H27N3O2.ClH/c1-3-14-6-8-16(9-7-14)22-13-15(11-18(22)23)19(24)21-10-4-5-17(21)12-20-2;/h6-9,15,17,20H,3-5,10-13H2,1-2H3;1H
InChIKeyBGTYWEZNSSRFAP-UHFFFAOYSA-N
XLogP2.23
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 119650076
1-(4-ethylphenyl)-4-[4-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119544467
(4R)-1-(4-ethylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9389079
4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidin-2-one
CID 119651522
1-(2-methoxy-5-methylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119650166
4-[3-(methylaminomethyl)piperidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride
CID 119397198
1-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 45340293
4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one
CID 119649660
4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride
CID 119540758
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(4-ethylphenyl)pyrrolidin-2-one;hydrochloride
CID 119594440
1-(4-ethylphenyl)-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 56544486
4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1-(4-ethylphenyl)pyrrolidin-2-one;hydrochloride
CID 119518509

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride?
The IUPAC name of 1-(4-ethylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride (CID 119650075) is 1-(4-ethylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 1-(4-ethylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 1-(4-ethylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride is CCc1ccc(N2CC(C(=O)N3CCCC3CNC)CC2=O)cc1.Cl.
What is the InChIKey of 1-(4-ethylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride?
The InChIKey is BGTYWEZNSSRFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2.ClH/c1-3-14-6-8-16(9-7-14)22-13-15(11-18(22)23)19(24)21-10-4-5-17(21)12-20-2;/h6-9,15,17,20H,3-5,10-13H2,1-2H3;1H.
What are the key properties of 1-(4-ethylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride?
1-(4-ethylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride has a molecular weight of 365.91 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 119650075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).