(2R,3S)-2-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)morpholine-3-carboxamide

C17H23N3O3 — CID 120935420

IUPAC(2R,3S)-2-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)morpholine-3-carboxamide
SMILESCC1CC(NC(=O)[C@H]2NCCO[C@@H]2C)C(=O)N1c1ccccc1
InChIInChI=1S/C17H23N3O3/c1-11-10-14(17(22)20(11)13-6-4-3-5-7-13)19-16(21)15-12(2)23-9-8-18-15/h3-7,11-12,14-15,18H,8-10H2,1-2H3,(H,19,21)/t11?,12-,14?,15+/m1/s1
InChIKeyRPNKLVDKIUTLKQ-NREAYKGKSA-N
MW317.39 g/mol
LogP0.67
Rot. Bonds3

About (2R,3S)-2-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)morpholine-3-carboxamide

(2R,3S)-2-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)morpholine-3-carboxamide (PubChem CID 120935420) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)morpholine-3-carboxamide
PubChem CID120935420
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(2R,3S)-2-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)morpholine-3-carboxamide
SMILESCC1CC(NC(=O)[C@H]2NCCO[C@@H]2C)C(=O)N1c1ccccc1
InChIInChI=1S/C17H23N3O3/c1-11-10-14(17(22)20(11)13-6-4-3-5-7-13)19-16(21)15-12(2)23-9-8-18-15/h3-7,11-12,14-15,18H,8-10H2,1-2H3,(H,19,21)/t11?,12-,14?,15+/m1/s1
InChIKeyRPNKLVDKIUTLKQ-NREAYKGKSA-N
XLogP0.67
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-2-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)morpholine-3-carboxamide
CID 120932111
(2R,3S)-2-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)morpholine-3-carboxamide;hydrochloride
CID 120932993
N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)piperidine-4-carboxamide;hydrochloride
CID 119336511
(2R,4R)-4-hydroxy-N-[(3S,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 125152093
(2R,3S)-N-(2-benzylcyclopropyl)-2-methylmorpholine-3-carboxamide
CID 120935072
2-(1,3-dioxan-2-yl)-N-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 124626029
(2R,3S)-2-methyl-N-(1-phenylpiperidin-3-yl)morpholine-3-carboxamide;dihydrochloride
CID 120941940
3-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)but-2-enamide
CID 71998925
(2R)-2-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 119336526
2-chloro-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 146085997
3-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)cyclohexane-1-carboxamide
CID 119806294
N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119806323

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)morpholine-3-carboxamide (CID 120935420) is (2R,3S)-2-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)morpholine-3-carboxamide is CC1CC(NC(=O)[C@H]2NCCO[C@@H]2C)C(=O)N1c1ccccc1.
What is the InChIKey of (2R,3S)-2-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)morpholine-3-carboxamide?
The InChIKey is RPNKLVDKIUTLKQ-NREAYKGKSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-11-10-14(17(22)20(11)13-6-4-3-5-7-13)19-16(21)15-12(2)23-9-8-18-15/h3-7,11-12,14-15,18H,8-10H2,1-2H3,(H,19,21)/t11?,12-,14?,15+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)morpholine-3-carboxamide?
(2R,3S)-2-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)morpholine-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)morpholine-3-carboxamide is sourced from PubChem (CID 120935420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).