(5R)-5-[[(2-methoxy-4-methylphenyl)methyl-methylamino]methyl]pyrrolidin-2-one

C15H22N2O2 — CID 171489543

IUPAC(5R)-5-[[(2-methoxy-4-methylphenyl)methyl-methylamino]methyl]pyrrolidin-2-one
SMILESCOc1cc(C)ccc1CN(C)C[C@H]1CCC(=O)N1
InChIInChI=1S/C15H22N2O2/c1-11-4-5-12(14(8-11)19-3)9-17(2)10-13-6-7-15(18)16-13/h4-5,8,13H,6-7,9-10H2,1-3H3,(H,16,18)/t13-/m1/s1
InChIKeyHPKQWLKGKPLNGF-CYBMUJFWSA-N
MW262.35 g/mol
LogP1.71
Rot. Bonds5

About (5R)-5-[[(2-methoxy-4-methylphenyl)methyl-methylamino]methyl]pyrrolidin-2-one

(5R)-5-[[(2-methoxy-4-methylphenyl)methyl-methylamino]methyl]pyrrolidin-2-one (PubChem CID 171489543) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (5R)-5-[[(2-methoxy-4-methylphenyl)methyl-methylamino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[[(2-methoxy-4-methylphenyl)methyl-methylamino]methyl]pyrrolidin-2-one
PubChem CID171489543
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(5R)-5-[[(2-methoxy-4-methylphenyl)methyl-methylamino]methyl]pyrrolidin-2-one
SMILESCOc1cc(C)ccc1CN(C)C[C@H]1CCC(=O)N1
InChIInChI=1S/C15H22N2O2/c1-11-4-5-12(14(8-11)19-3)9-17(2)10-13-6-7-15(18)16-13/h4-5,8,13H,6-7,9-10H2,1-3H3,(H,16,18)/t13-/m1/s1
InChIKeyHPKQWLKGKPLNGF-CYBMUJFWSA-N
XLogP1.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

PF-429242
CID 23661637
2(1H)-Pyridinone, 5-ethyl-3-(((2-methoxy-4-methylphenyl)methyl)amino)-6-methyl-
CID 454368
Iodopride
CID 3082754
N-(1-Ethyl-pyrrolidin-2-ylmethyl)-5-iodo-2-methoxy-benzamide
CID 9977544
(5Z,8Z,11Z,14Z)-N-[(3-methoxyphenyl)methyl]icosa-5,8,11,14-tetraenamide
CID 10002429
(5Z,8Z,11Z,14Z,17Z)-N-[(3-methoxyphenyl)methyl]icosa-5,8,11,14,17-pentaenamide
CID 162516978
N-(3-methoxybenzyl)-N'-(4-phenylbutan-2-yl)pentanediamide
CID 5145094
N-(2-Methoxy-benzyl)-3-methyl-butyramide
CID 842661
N-[(2-methoxyphenyl)methyl]-2-methylpentanamide
CID 2890938
(S)-N-(2-phenoxybenzyl)-N-(pyrrolidin-3-yl)isobutyramide
CID 11709831
(S)-tert-butyl 2-(4-(((S)-1-((2-methoxybenzyl)amino)-3-methyl-1-oxobutan-2-yl)carbamoyl)piperidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 16399321
(S)-tert-butyl 2-(4-(((S)-1-((2-methoxybenzyl)amino)-1-oxopropan-2-yl)carbamoyl)piperidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 16400352

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[(2-methoxy-4-methylphenyl)methyl-methylamino]methyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[[(2-methoxy-4-methylphenyl)methyl-methylamino]methyl]pyrrolidin-2-one (CID 171489543) is (5R)-5-[[(2-methoxy-4-methylphenyl)methyl-methylamino]methyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[[(2-methoxy-4-methylphenyl)methyl-methylamino]methyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[[(2-methoxy-4-methylphenyl)methyl-methylamino]methyl]pyrrolidin-2-one is COc1cc(C)ccc1CN(C)C[C@H]1CCC(=O)N1.
What is the InChIKey of (5R)-5-[[(2-methoxy-4-methylphenyl)methyl-methylamino]methyl]pyrrolidin-2-one?
The InChIKey is HPKQWLKGKPLNGF-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-4-5-12(14(8-11)19-3)9-17(2)10-13-6-7-15(18)16-13/h4-5,8,13H,6-7,9-10H2,1-3H3,(H,16,18)/t13-/m1/s1.
What are the key properties of (5R)-5-[[(2-methoxy-4-methylphenyl)methyl-methylamino]methyl]pyrrolidin-2-one?
(5R)-5-[[(2-methoxy-4-methylphenyl)methyl-methylamino]methyl]pyrrolidin-2-one has a molecular weight of 262.35 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[(2-methoxy-4-methylphenyl)methyl-methylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 171489543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).