(2S)-N-[3-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholine-4-carbonyl]phenyl]oxolane-2-carboxamide

C24H28N2O4 — CID 100906472

IUPAC(2S)-N-[3-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholine-4-carbonyl]phenyl]oxolane-2-carboxamide
SMILESC[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1
InChIInChI=1S/C24H28N2O4/c1-16-15-30-22(18-8-4-3-5-9-18)17(2)26(16)24(28)19-10-6-11-20(14-19)25-23(27)21-12-7-13-29-21/h3-6,8-11,14,16-17,21-22H,7,12-13,15H2,1-2H3,(H,25,27)/t16-,17-,21+,22+/m1/s1
InChIKeyZMAAWEUOIJRTAO-YAKVFXAGSA-N
MW408.50 g/mol
LogP3.79
Rot. Bonds4

About (2S)-N-[3-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholine-4-carbonyl]phenyl]oxolane-2-carboxamide

(2S)-N-[3-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholine-4-carbonyl]phenyl]oxolane-2-carboxamide (PubChem CID 100906472) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is (2S)-N-[3-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholine-4-carbonyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholine-4-carbonyl]phenyl]oxolane-2-carboxamide
PubChem CID100906472
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name(2S)-N-[3-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholine-4-carbonyl]phenyl]oxolane-2-carboxamide
SMILESC[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1
InChIInChI=1S/C24H28N2O4/c1-16-15-30-22(18-8-4-3-5-9-18)17(2)26(16)24(28)19-10-6-11-20(14-19)25-23(27)21-12-7-13-29-21/h3-6,8-11,14,16-17,21-22H,7,12-13,15H2,1-2H3,(H,25,27)/t16-,17-,21+,22+/m1/s1
InChIKeyZMAAWEUOIJRTAO-YAKVFXAGSA-N
XLogP3.79
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[3-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholine-4-carbonyl]phenyl]oxolane-2-carboxamide with MolForge

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Related Compounds

3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
(2R)-N-[3-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 34230461
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
N-phenyloxolane-2-carboxamide
CID 3453643
(2S)-N-[3-[(3R)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 52514050
(2S)-N-[3-[(3S)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 124814920
(3R,4R)-4-cyclopropyl-1-[3-(oxolane-2-carbonylamino)benzoyl]pyrrolidine-3-carboxylic acid
CID 120980235
N-[3-(benzylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 2971215
N-[3-(piperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 119403640
N-[3-[4-(3-methylbenzoyl)-1,4-diazepane-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 42949468
N-[3-(piperazine-1-carbonyl)phenyl]oxolane-2-carboxamide;hydrochloride
CID 119403639
(2R)-N-[3-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 95775139

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholine-4-carbonyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[3-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholine-4-carbonyl]phenyl]oxolane-2-carboxamide (CID 100906472) is (2S)-N-[3-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholine-4-carbonyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholine-4-carbonyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[3-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholine-4-carbonyl]phenyl]oxolane-2-carboxamide is C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1.
What is the InChIKey of (2S)-N-[3-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholine-4-carbonyl]phenyl]oxolane-2-carboxamide?
The InChIKey is ZMAAWEUOIJRTAO-YAKVFXAGSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-16-15-30-22(18-8-4-3-5-9-18)17(2)26(16)24(28)19-10-6-11-20(14-19)25-23(27)21-12-7-13-29-21/h3-6,8-11,14,16-17,21-22H,7,12-13,15H2,1-2H3,(H,25,27)/t16-,17-,21+,22+/m1/s1.
What are the key properties of (2S)-N-[3-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholine-4-carbonyl]phenyl]oxolane-2-carboxamide?
(2S)-N-[3-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholine-4-carbonyl]phenyl]oxolane-2-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholine-4-carbonyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 100906472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).