(2R,3S)-2-methyl-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]morpholine-3-carboxamide;dihydrochloride

C19H31Cl2N3O3 — CID 120942024

IUPAC(2R,3S)-2-methyl-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]morpholine-3-carboxamide;dihydrochloride
SMILESCc1cc(NC(=O)[C@H]2NCCO[C@@H]2C)ccc1OCCN1CCCC1.Cl.Cl
InChIInChI=1S/C19H29N3O3.2ClH/c1-14-13-16(21-19(23)18-15(2)24-11-7-20-18)5-6-17(14)25-12-10-22-8-3-4-9-22;;/h5-6,13,15,18,20H,3-4,7-12H2,1-2H3,(H,21,23);2*1H/t15-,18+;;/m1../s1
InChIKeyWRGKVLCFWMWNOL-RZCPSWOESA-N
MW420.38 g/mol
LogP2.63
Rot. Bonds6

About (2R,3S)-2-methyl-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]morpholine-3-carboxamide;dihydrochloride

(2R,3S)-2-methyl-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]morpholine-3-carboxamide;dihydrochloride (PubChem CID 120942024) has the molecular formula C19H31Cl2N3O3 and a molecular weight of 420.38 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]morpholine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]morpholine-3-carboxamide;dihydrochloride
PubChem CID120942024
Molecular FormulaC19H31Cl2N3O3
Molecular Weight420.38 g/mol
Exact Mass419.17
IUPAC Name(2R,3S)-2-methyl-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]morpholine-3-carboxamide;dihydrochloride
SMILESCc1cc(NC(=O)[C@H]2NCCO[C@@H]2C)ccc1OCCN1CCCC1.Cl.Cl
InChIInChI=1S/C19H29N3O3.2ClH/c1-14-13-16(21-19(23)18-15(2)24-11-7-20-18)5-6-17(14)25-12-10-22-8-3-4-9-22;;/h5-6,13,15,18,20H,3-4,7-12H2,1-2H3,(H,21,23);2*1H/t15-,18+;;/m1../s1
InChIKeyWRGKVLCFWMWNOL-RZCPSWOESA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119889619
(2R,3S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)morpholine-3-carboxamide;hydrochloride
CID 120934935
N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119889613
(2R,3S)-N-(4-ethoxy-3-fluorophenyl)-2-methylmorpholine-3-carboxamide
CID 120926803
N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942278
(2R,3S)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120932574
(2R,3S)-N-(3-chloro-4-methoxyphenyl)-2-methylmorpholine-3-carboxamide
CID 120917710
(2R,3S)-2-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-3-carboxamide;dihydrochloride
CID 120940171
1-amino-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119889581
4-amino-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]butanamide;dihydrochloride
CID 119889617
(2R,3S)-2-methyl-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]morpholine-3-carboxamide
CID 120931980
(2R,3S)-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]morpholine-3-carboxamide
CID 120922893

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]morpholine-3-carboxamide;dihydrochloride?
The IUPAC name of (2R,3S)-2-methyl-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]morpholine-3-carboxamide;dihydrochloride (CID 120942024) is (2R,3S)-2-methyl-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]morpholine-3-carboxamide;dihydrochloride.
What is the SMILES notation for (2R,3S)-2-methyl-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]morpholine-3-carboxamide;dihydrochloride?
The canonical SMILES for (2R,3S)-2-methyl-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]morpholine-3-carboxamide;dihydrochloride is Cc1cc(NC(=O)[C@H]2NCCO[C@@H]2C)ccc1OCCN1CCCC1.Cl.Cl.
What is the InChIKey of (2R,3S)-2-methyl-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]morpholine-3-carboxamide;dihydrochloride?
The InChIKey is WRGKVLCFWMWNOL-RZCPSWOESA-N. The full InChI is InChI=1S/C19H29N3O3.2ClH/c1-14-13-16(21-19(23)18-15(2)24-11-7-20-18)5-6-17(14)25-12-10-22-8-3-4-9-22;;/h5-6,13,15,18,20H,3-4,7-12H2,1-2H3,(H,21,23);2*1H/t15-,18+;;/m1../s1.
What are the key properties of (2R,3S)-2-methyl-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]morpholine-3-carboxamide;dihydrochloride?
(2R,3S)-2-methyl-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]morpholine-3-carboxamide;dihydrochloride has a molecular weight of 420.38 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]morpholine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120942024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).