(2S,3S)-4-methyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-5-oxo-3-phenylmorpholine-2-carboxamide

C23H29N3O4 — CID 124862387

IUPAC(2S,3S)-4-methyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCc1ccc([C@H](CNC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccccc2)N2CCCC2)o1
InChIInChI=1S/C23H29N3O4/c1-16-10-11-19(30-16)18(26-12-6-7-13-26)14-24-23(28)22-21(17-8-4-3-5-9-17)25(2)20(27)15-29-22/h3-5,8-11,18,21-22H,6-7,12-15H2,1-2H3,(H,24,28)/t18-,21-,22-/m0/s1
InChIKeyMSBMEALNMAWFCD-NYVOZVTQSA-N
MW411.50 g/mol
LogP2.44
Rot. Bonds6

About (2S,3S)-4-methyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-5-oxo-3-phenylmorpholine-2-carboxamide

(2S,3S)-4-methyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-5-oxo-3-phenylmorpholine-2-carboxamide (PubChem CID 124862387) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is (2S,3S)-4-methyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-5-oxo-3-phenylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3S)-4-methyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-5-oxo-3-phenylmorpholine-2-carboxamide
PubChem CID124862387
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name(2S,3S)-4-methyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCc1ccc([C@H](CNC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccccc2)N2CCCC2)o1
InChIInChI=1S/C23H29N3O4/c1-16-10-11-19(30-16)18(26-12-6-7-13-26)14-24-23(28)22-21(17-8-4-3-5-9-17)25(2)20(27)15-29-22/h3-5,8-11,18,21-22H,6-7,12-15H2,1-2H3,(H,24,28)/t18-,21-,22-/m0/s1
InChIKeyMSBMEALNMAWFCD-NYVOZVTQSA-N
XLogP2.44
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834523
N-[(2R)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834521
(2S,3S)-4-methyl-3-(4-methylphenyl)-5-oxo-N-(2-phenylethyl)morpholine-2-carboxamide
CID 97457442
(2S,3R)-N-[(2S)-butan-2-yl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 98768943
4-methyl-5-oxo-3-phenyl-N-(pyridin-4-ylmethyl)morpholine-2-carboxamide
CID 71687674
(2S,3R)-N-cyclopentyl-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 95738078
(2R,3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 163336063
N-[(2R)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-2-phenoxyacetamide
CID 26834553
4-methyl-5-oxo-3-phenyl-N-(1-phenylethyl)morpholine-2-carboxamide
CID 71687662
(3R)-1-methyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 94092670
(2S,3S)-4-methyl-N-(4-methylpyrimidin-2-yl)-5-oxo-3-phenylmorpholine-2-carboxamide
CID 124882471
(2R,3R)-4-methyl-5-oxo-3-phenyl-N-(3-pyrazol-1-ylpropyl)morpholine-2-carboxamide
CID 95737976

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-4-methyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-5-oxo-3-phenylmorpholine-2-carboxamide?
The IUPAC name of (2S,3S)-4-methyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-5-oxo-3-phenylmorpholine-2-carboxamide (CID 124862387) is (2S,3S)-4-methyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-5-oxo-3-phenylmorpholine-2-carboxamide.
What is the SMILES notation for (2S,3S)-4-methyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-5-oxo-3-phenylmorpholine-2-carboxamide?
The canonical SMILES for (2S,3S)-4-methyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-5-oxo-3-phenylmorpholine-2-carboxamide is Cc1ccc([C@H](CNC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccccc2)N2CCCC2)o1.
What is the InChIKey of (2S,3S)-4-methyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-5-oxo-3-phenylmorpholine-2-carboxamide?
The InChIKey is MSBMEALNMAWFCD-NYVOZVTQSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-16-10-11-19(30-16)18(26-12-6-7-13-26)14-24-23(28)22-21(17-8-4-3-5-9-17)25(2)20(27)15-29-22/h3-5,8-11,18,21-22H,6-7,12-15H2,1-2H3,(H,24,28)/t18-,21-,22-/m0/s1.
What are the key properties of (2S,3S)-4-methyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-5-oxo-3-phenylmorpholine-2-carboxamide?
(2S,3S)-4-methyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-5-oxo-3-phenylmorpholine-2-carboxamide has a molecular weight of 411.50 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-4-methyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-5-oxo-3-phenylmorpholine-2-carboxamide is sourced from PubChem (CID 124862387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).