(2R,3S)-N,2-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]morpholine-3-carboxamide;dihydrochloride

C18H29Cl2N3O2 — CID 120938273

IUPAC(2R,3S)-N,2-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]morpholine-3-carboxamide;dihydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)N(C)Cc1ccccc1N1CCCC1.Cl.Cl
InChIInChI=1S/C18H27N3O2.2ClH/c1-14-17(19-9-12-23-14)18(22)20(2)13-15-7-3-4-8-16(15)21-10-5-6-11-21;;/h3-4,7-8,14,17,19H,5-6,9-13H2,1-2H3;2*1H/t14-,17+;;/m1../s1
InChIKeyFZUARIRSUCRZHP-YSEASCLGSA-N
MW390.36 g/mol
LogP2.47
Rot. Bonds4

About (2R,3S)-N,2-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]morpholine-3-carboxamide;dihydrochloride

(2R,3S)-N,2-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]morpholine-3-carboxamide;dihydrochloride (PubChem CID 120938273) has the molecular formula C18H29Cl2N3O2 and a molecular weight of 390.36 g/mol. Its IUPAC name is (2R,3S)-N,2-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]morpholine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2R,3S)-N,2-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]morpholine-3-carboxamide;dihydrochloride
PubChem CID120938273
Molecular FormulaC18H29Cl2N3O2
Molecular Weight390.36 g/mol
Exact Mass389.16
IUPAC Name(2R,3S)-N,2-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]morpholine-3-carboxamide;dihydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)N(C)Cc1ccccc1N1CCCC1.Cl.Cl
InChIInChI=1S/C18H27N3O2.2ClH/c1-14-17(19-9-12-23-14)18(22)20(2)13-15-7-3-4-8-16(15)21-10-5-6-11-21;;/h3-4,7-8,14,17,19H,5-6,9-13H2,1-2H3;2*1H/t14-,17+;;/m1../s1
InChIKeyFZUARIRSUCRZHP-YSEASCLGSA-N
XLogP2.47
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N,2-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]morpholine-3-carboxamide;dihydrochloride
CID 120938281
(2R,3S)-N-[(2-bromophenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120918331
(2R,3S)-N-[(2-fluorophenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide
CID 120918482
(2S)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]morpholine-2-carboxamide
CID 124685793
(3S)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 124685812
(2R,3S)-N,2-dimethyl-N-[(4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 120918446
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]morpholine-2-carboxamide;dihydrochloride
CID 119836475
(2R,3S)-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120928000
(2R,3S)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120919375
(2R,3S)-N-[(2,4-difluorophenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide
CID 120921210
(2R,3S)-N,2-dimethyl-N-(2-naphthalen-1-ylethyl)morpholine-3-carboxamide
CID 120928944
(2R,3S)-N-[2-(2-ethylanilino)-2-oxoethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120918817

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N,2-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]morpholine-3-carboxamide;dihydrochloride?
The IUPAC name of (2R,3S)-N,2-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]morpholine-3-carboxamide;dihydrochloride (CID 120938273) is (2R,3S)-N,2-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]morpholine-3-carboxamide;dihydrochloride.
What is the SMILES notation for (2R,3S)-N,2-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]morpholine-3-carboxamide;dihydrochloride?
The canonical SMILES for (2R,3S)-N,2-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]morpholine-3-carboxamide;dihydrochloride is C[C@H]1OCCN[C@@H]1C(=O)N(C)Cc1ccccc1N1CCCC1.Cl.Cl.
What is the InChIKey of (2R,3S)-N,2-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]morpholine-3-carboxamide;dihydrochloride?
The InChIKey is FZUARIRSUCRZHP-YSEASCLGSA-N. The full InChI is InChI=1S/C18H27N3O2.2ClH/c1-14-17(19-9-12-23-14)18(22)20(2)13-15-7-3-4-8-16(15)21-10-5-6-11-21;;/h3-4,7-8,14,17,19H,5-6,9-13H2,1-2H3;2*1H/t14-,17+;;/m1../s1.
What are the key properties of (2R,3S)-N,2-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]morpholine-3-carboxamide;dihydrochloride?
(2R,3S)-N,2-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]morpholine-3-carboxamide;dihydrochloride has a molecular weight of 390.36 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N,2-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]morpholine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120938273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).