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

C19H31Cl2N3O4 — CID 120940171

IUPAC(2R,3S)-2-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-3-carboxamide;dihydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCc1ccccc1OCCN1CCOCC1.Cl.Cl
InChIInChI=1S/C19H29N3O4.2ClH/c1-15-18(20-6-10-25-15)19(23)21-14-16-4-2-3-5-17(16)26-13-9-22-7-11-24-12-8-22;;/h2-5,15,18,20H,6-14H2,1H3,(H,21,23);2*1H/t15-,18+;;/m1../s1
InChIKeyQTKSPJMGVKMOCM-RZCPSWOESA-N
MW436.38 g/mol
LogP1.23
Rot. Bonds7

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

(2R,3S)-2-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-3-carboxamide;dihydrochloride (PubChem CID 120940171) has the molecular formula C19H31Cl2N3O4 and a molecular weight of 436.38 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-3-carboxamide;dihydrochloride
PubChem CID120940171
Molecular FormulaC19H31Cl2N3O4
Molecular Weight436.38 g/mol
Exact Mass435.17
IUPAC Name(2R,3S)-2-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-3-carboxamide;dihydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCc1ccccc1OCCN1CCOCC1.Cl.Cl
InChIInChI=1S/C19H29N3O4.2ClH/c1-15-18(20-6-10-25-15)19(23)21-14-16-4-2-3-5-17(16)26-13-9-22-7-11-24-12-8-22;;/h2-5,15,18,20H,6-14H2,1H3,(H,21,23);2*1H/t15-,18+;;/m1../s1
InChIKeyQTKSPJMGVKMOCM-RZCPSWOESA-N
XLogP1.23
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.38
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R,3S)-2-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-3-carboxamide;dihydrochloride with MolForge

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Related Compounds

(2R,3S)-N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120920803
(2R,3S)-N-[[2-(dimethylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120940688
3-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclopentane-1-carboxamide
CID 119865223
(2R,3S)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120938228
(2S)-2-amino-4-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pentanamide
CID 119865271
3-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride
CID 119865260
2-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]benzamide;dihydrochloride
CID 119946846
(2R,3S)-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120921553
(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120916874
(2S,5R)-5-(aminomethyl)-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]oxolane-2-carboxamide
CID 120799128
2-(4-aminophenyl)-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]acetamide;dihydrochloride
CID 119865216
(2R,3S)-2-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 120920799

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-3-carboxamide;dihydrochloride?
The IUPAC name of (2R,3S)-2-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-3-carboxamide;dihydrochloride (CID 120940171) is (2R,3S)-2-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-3-carboxamide;dihydrochloride.
What is the SMILES notation for (2R,3S)-2-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-3-carboxamide;dihydrochloride?
The canonical SMILES for (2R,3S)-2-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-3-carboxamide;dihydrochloride is C[C@H]1OCCN[C@@H]1C(=O)NCc1ccccc1OCCN1CCOCC1.Cl.Cl.
What is the InChIKey of (2R,3S)-2-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-3-carboxamide;dihydrochloride?
The InChIKey is QTKSPJMGVKMOCM-RZCPSWOESA-N. The full InChI is InChI=1S/C19H29N3O4.2ClH/c1-15-18(20-6-10-25-15)19(23)21-14-16-4-2-3-5-17(16)26-13-9-22-7-11-24-12-8-22;;/h2-5,15,18,20H,6-14H2,1H3,(H,21,23);2*1H/t15-,18+;;/m1../s1.
What are the key properties of (2R,3S)-2-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-3-carboxamide;dihydrochloride?
(2R,3S)-2-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-3-carboxamide;dihydrochloride has a molecular weight of 436.38 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120940171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).