1-(2-methoxy-5-methylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride

C19H28ClN3O3 — CID 119650166

IUPAC1-(2-methoxy-5-methylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
SMILESCNCC1CCCN1C(=O)C1CC(=O)N(c2cc(C)ccc2OC)C1.Cl
InChIInChI=1S/C19H27N3O3.ClH/c1-13-6-7-17(25-3)16(9-13)22-12-14(10-18(22)23)19(24)21-8-4-5-15(21)11-20-2;/h6-7,9,14-15,20H,4-5,8,10-12H2,1-3H3;1H
InChIKeyIDQALOKUVJUJSL-UHFFFAOYSA-N
MW381.90 g/mol
LogP1.99
Rot. Bonds5

About 1-(2-methoxy-5-methylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride

1-(2-methoxy-5-methylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride (PubChem CID 119650166) has the molecular formula C19H28ClN3O3 and a molecular weight of 381.90 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
PubChem CID119650166
Molecular FormulaC19H28ClN3O3
Molecular Weight381.90 g/mol
Exact Mass381.18
IUPAC Name1-(2-methoxy-5-methylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
SMILESCNCC1CCCN1C(=O)C1CC(=O)N(c2cc(C)ccc2OC)C1.Cl
InChIInChI=1S/C19H27N3O3.ClH/c1-13-6-7-17(25-3)16(9-13)22-12-14(10-18(22)23)19(24)21-8-4-5-15(21)11-20-2;/h6-7,9,14-15,20H,4-5,8,10-12H2,1-3H3;1H
InChIKeyIDQALOKUVJUJSL-UHFFFAOYSA-N
XLogP1.99
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.90
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidin-2-one
CID 119651522
(4R)-1-(2-methoxy-5-methylphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 41025662
1-(2-methoxy-5-methylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119561638
1-(4-ethylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119650075
1-(2-methoxy-5-methylphenyl)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119501870
(3S)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 41025446
1-(4-ethylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 119650076
1-[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122114295
1-(2-methoxy-5-methylphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 119401734
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one
CID 119594540
4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one;hydrochloride
CID 119636918
2-(2-methoxy-4-methylphenoxy)-1-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 124684857

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride (CID 119650166) is 1-(2-methoxy-5-methylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride is CNCC1CCCN1C(=O)C1CC(=O)N(c2cc(C)ccc2OC)C1.Cl.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride?
The InChIKey is IDQALOKUVJUJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3.ClH/c1-13-6-7-17(25-3)16(9-13)22-12-14(10-18(22)23)19(24)21-8-4-5-15(21)11-20-2;/h6-7,9,14-15,20H,4-5,8,10-12H2,1-3H3;1H.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride?
1-(2-methoxy-5-methylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride has a molecular weight of 381.90 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 119650166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).