(2R,3S)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride

C19H31Cl2N3O3 — CID 120937945

IUPAC(2R,3S)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
SMILESCOc1ccccc1C(CNC(=O)[C@H]1NCCO[C@@H]1C)N1CCCC1.Cl.Cl
InChIInChI=1S/C19H29N3O3.2ClH/c1-14-18(20-9-12-25-14)19(23)21-13-16(22-10-5-6-11-22)15-7-3-4-8-17(15)24-2;;/h3-4,7-8,14,16,18,20H,5-6,9-13H2,1-2H3,(H,21,23);2*1H/t14-,16?,18+;;/m1../s1
InChIKeyMEYVOWLWJPJWKY-AVTTXIACSA-N
MW420.38 g/mol
LogP2.17
Rot. Bonds6

About (2R,3S)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride

(2R,3S)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride (PubChem CID 120937945) has the molecular formula C19H31Cl2N3O3 and a molecular weight of 420.38 g/mol. Its IUPAC name is (2R,3S)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
PubChem CID120937945
Molecular FormulaC19H31Cl2N3O3
Molecular Weight420.38 g/mol
Exact Mass419.17
IUPAC Name(2R,3S)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
SMILESCOc1ccccc1C(CNC(=O)[C@H]1NCCO[C@@H]1C)N1CCCC1.Cl.Cl
InChIInChI=1S/C19H29N3O3.2ClH/c1-14-18(20-9-12-25-14)19(23)21-13-16(22-10-5-6-11-22)15-7-3-4-8-17(15)24-2;;/h3-4,7-8,14,16,18,20H,5-6,9-13H2,1-2H3,(H,21,23);2*1H/t14-,16?,18+;;/m1../s1
InChIKeyMEYVOWLWJPJWKY-AVTTXIACSA-N
XLogP2.17
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4S)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631303
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119830716
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclobutanecarboxamide
CID 30522180
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 43044922
(2R,3S)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylmorpholine-3-carboxamide
CID 120937874
3-amino-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119830666
N-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide
CID 112504090
(2R,3S)-2-methyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]morpholine-3-carboxamide
CID 120939770
(2R,3S)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methylmorpholine-3-carboxamide
CID 120932523
1-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(oxan-4-yl)urea
CID 110622092
(3S)-4-(2,2-difluoroethyl)-N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]morpholine-3-carboxamide
CID 100613737
1-(2-methoxyphenyl)-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 17497858

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride?
The IUPAC name of (2R,3S)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride (CID 120937945) is (2R,3S)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride.
What is the SMILES notation for (2R,3S)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride?
The canonical SMILES for (2R,3S)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride is COc1ccccc1C(CNC(=O)[C@H]1NCCO[C@@H]1C)N1CCCC1.Cl.Cl.
What is the InChIKey of (2R,3S)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride?
The InChIKey is MEYVOWLWJPJWKY-AVTTXIACSA-N. The full InChI is InChI=1S/C19H29N3O3.2ClH/c1-14-18(20-9-12-25-14)19(23)21-13-16(22-10-5-6-11-22)15-7-3-4-8-17(15)24-2;;/h3-4,7-8,14,16,18,20H,5-6,9-13H2,1-2H3,(H,21,23);2*1H/t14-,16?,18+;;/m1../s1.
What are the key properties of (2R,3S)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride?
(2R,3S)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride has a molecular weight of 420.38 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120937945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).