(2R)-2-(cyclopropanecarbonyl)-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]morpholine-4-carboxamide

C21H29N3O4 — CID 124861275

IUPAC(2R)-2-(cyclopropanecarbonyl)-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]morpholine-4-carboxamide
SMILESC[C@@H]1CN(c2ccccc2NC(=O)N2CCO[C@@H](C(=O)C3CC3)C2)C[C@H](C)O1
InChIInChI=1S/C21H29N3O4/c1-14-11-24(12-15(2)28-14)18-6-4-3-5-17(18)22-21(26)23-9-10-27-19(13-23)20(25)16-7-8-16/h3-6,14-16,19H,7-13H2,1-2H3,(H,22,26)/t14-,15+,19-/m1/s1
InChIKeyHCMLEMXKQCYXDR-ZRGWGRIASA-N
MW387.48 g/mol
LogP2.51
Rot. Bonds4

About (2R)-2-(cyclopropanecarbonyl)-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]morpholine-4-carboxamide

(2R)-2-(cyclopropanecarbonyl)-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]morpholine-4-carboxamide (PubChem CID 124861275) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is (2R)-2-(cyclopropanecarbonyl)-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-2-(cyclopropanecarbonyl)-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]morpholine-4-carboxamide
PubChem CID124861275
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Name(2R)-2-(cyclopropanecarbonyl)-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]morpholine-4-carboxamide
SMILESC[C@@H]1CN(c2ccccc2NC(=O)N2CCO[C@@H](C(=O)C3CC3)C2)C[C@H](C)O1
InChIInChI=1S/C21H29N3O4/c1-14-11-24(12-15(2)28-14)18-6-4-3-5-17(18)22-21(26)23-9-10-27-19(13-23)20(25)16-7-8-16/h3-6,14-16,19H,7-13H2,1-2H3,(H,22,26)/t14-,15+,19-/m1/s1
InChIKeyHCMLEMXKQCYXDR-ZRGWGRIASA-N
XLogP2.51
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-(cyclopropanecarbonyl)-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]morpholine-4-carboxamide with MolForge

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Related Compounds

(2S)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-2-methylmorpholine-4-carboxamide
CID 94154647
3-amino-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119845961
methyl 4-[(2-chlorophenyl)carbamoyl]morpholine-2-carboxylate
CID 78927127
1-(cyclopropylmethyl)-3-[2-(2,6-dimethylmorpholin-4-yl)phenyl]urea
CID 51085659
(2S,4S)-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120633562
1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 124729841
1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3-(4-hydroxyphenyl)urea
CID 124618726
3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 100859036
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-2-ethylsulfonylacetamide
CID 94469385
1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-propylurea
CID 94154582
N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3,4,4-trimethylpentanamide
CID 86901306
(E)-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-phenylprop-2-enamide
CID 60533436

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclopropanecarbonyl)-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]morpholine-4-carboxamide?
The IUPAC name of (2R)-2-(cyclopropanecarbonyl)-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]morpholine-4-carboxamide (CID 124861275) is (2R)-2-(cyclopropanecarbonyl)-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]morpholine-4-carboxamide.
What is the SMILES notation for (2R)-2-(cyclopropanecarbonyl)-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]morpholine-4-carboxamide?
The canonical SMILES for (2R)-2-(cyclopropanecarbonyl)-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]morpholine-4-carboxamide is C[C@@H]1CN(c2ccccc2NC(=O)N2CCO[C@@H](C(=O)C3CC3)C2)C[C@H](C)O1.
What is the InChIKey of (2R)-2-(cyclopropanecarbonyl)-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]morpholine-4-carboxamide?
The InChIKey is HCMLEMXKQCYXDR-ZRGWGRIASA-N. The full InChI is InChI=1S/C21H29N3O4/c1-14-11-24(12-15(2)28-14)18-6-4-3-5-17(18)22-21(26)23-9-10-27-19(13-23)20(25)16-7-8-16/h3-6,14-16,19H,7-13H2,1-2H3,(H,22,26)/t14-,15+,19-/m1/s1.
What are the key properties of (2R)-2-(cyclopropanecarbonyl)-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]morpholine-4-carboxamide?
(2R)-2-(cyclopropanecarbonyl)-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]morpholine-4-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclopropanecarbonyl)-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 124861275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).