(2S,3R)-N-(1H-indol-4-ylmethyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide

C22H23N3O3 — CID 134701120

IUPAC(2S,3R)-N-(1H-indol-4-ylmethyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide
SMILESCc1ccccc1[C@@H]1[C@@H](C(=O)NCc2cccc3[nH]ccc23)OCC(=O)N1C
InChIInChI=1S/C22H23N3O3/c1-14-6-3-4-8-16(14)20-21(28-13-19(26)25(20)2)22(27)24-12-15-7-5-9-18-17(15)10-11-23-18/h3-11,20-21,23H,12-13H2,1-2H3,(H,24,27)/t20-,21+/m1/s1
InChIKeyAAINRCXHEQQSQU-RTWAWAEBSA-N
MW377.44 g/mol
LogP2.69
Rot. Bonds4

About (2S,3R)-N-(1H-indol-4-ylmethyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide

(2S,3R)-N-(1H-indol-4-ylmethyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide (PubChem CID 134701120) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is (2S,3R)-N-(1H-indol-4-ylmethyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-(1H-indol-4-ylmethyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide
PubChem CID134701120
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name(2S,3R)-N-(1H-indol-4-ylmethyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide
SMILESCc1ccccc1[C@@H]1[C@@H](C(=O)NCc2cccc3[nH]ccc23)OCC(=O)N1C
InChIInChI=1S/C22H23N3O3/c1-14-6-3-4-8-16(14)20-21(28-13-19(26)25(20)2)22(27)24-12-15-7-5-9-18-17(15)10-11-23-18/h3-11,20-21,23H,12-13H2,1-2H3,(H,24,27)/t20-,21+/m1/s1
InChIKeyAAINRCXHEQQSQU-RTWAWAEBSA-N
XLogP2.69
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-(1H-indol-4-ylmethyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-N-(1H-indol-4-ylmethyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide (CID 134701120) is (2S,3R)-N-(1H-indol-4-ylmethyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-N-(1H-indol-4-ylmethyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-N-(1H-indol-4-ylmethyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide is Cc1ccccc1[C@@H]1[C@@H](C(=O)NCc2cccc3[nH]ccc23)OCC(=O)N1C.
What is the InChIKey of (2S,3R)-N-(1H-indol-4-ylmethyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide?
The InChIKey is AAINRCXHEQQSQU-RTWAWAEBSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-14-6-3-4-8-16(14)20-21(28-13-19(26)25(20)2)22(27)24-12-15-7-5-9-18-17(15)10-11-23-18/h3-11,20-21,23H,12-13H2,1-2H3,(H,24,27)/t20-,21+/m1/s1.
What are the key properties of (2S,3R)-N-(1H-indol-4-ylmethyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide?
(2S,3R)-N-(1H-indol-4-ylmethyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-(1H-indol-4-ylmethyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide is sourced from PubChem (CID 134701120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).