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

C21H28N2O3 — CID 134713673

IUPAC(2S,3R)-N-(1-cyclopentylcyclopropyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide
SMILESCc1ccccc1[C@@H]1[C@@H](C(=O)NC2(C3CCCC3)CC2)OCC(=O)N1C
InChIInChI=1S/C21H28N2O3/c1-14-7-3-6-10-16(14)18-19(26-13-17(24)23(18)2)20(25)22-21(11-12-21)15-8-4-5-9-15/h3,6-7,10,15,18-19H,4-5,8-9,11-13H2,1-2H3,(H,22,25)/t18-,19+/m1/s1
InChIKeyTWWDOKYKXXCYEU-MOPGFXCFSA-N
MW356.47 g/mol
LogP2.73
Rot. Bonds4

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

(2S,3R)-N-(1-cyclopentylcyclopropyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide (PubChem CID 134713673) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is (2S,3R)-N-(1-cyclopentylcyclopropyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-(1-cyclopentylcyclopropyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide
PubChem CID134713673
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name(2S,3R)-N-(1-cyclopentylcyclopropyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide
SMILESCc1ccccc1[C@@H]1[C@@H](C(=O)NC2(C3CCCC3)CC2)OCC(=O)N1C
InChIInChI=1S/C21H28N2O3/c1-14-7-3-6-10-16(14)18-19(26-13-17(24)23(18)2)20(25)22-21(11-12-21)15-8-4-5-9-15/h3,6-7,10,15,18-19H,4-5,8-9,11-13H2,1-2H3,(H,22,25)/t18-,19+/m1/s1
InChIKeyTWWDOKYKXXCYEU-MOPGFXCFSA-N
XLogP2.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-(1-cyclopentylcyclopropyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-N-(1-cyclopentylcyclopropyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide (CID 134713673) is (2S,3R)-N-(1-cyclopentylcyclopropyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-N-(1-cyclopentylcyclopropyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-N-(1-cyclopentylcyclopropyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide is Cc1ccccc1[C@@H]1[C@@H](C(=O)NC2(C3CCCC3)CC2)OCC(=O)N1C.
What is the InChIKey of (2S,3R)-N-(1-cyclopentylcyclopropyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide?
The InChIKey is TWWDOKYKXXCYEU-MOPGFXCFSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-14-7-3-6-10-16(14)18-19(26-13-17(24)23(18)2)20(25)22-21(11-12-21)15-8-4-5-9-15/h3,6-7,10,15,18-19H,4-5,8-9,11-13H2,1-2H3,(H,22,25)/t18-,19+/m1/s1.
What are the key properties of (2S,3R)-N-(1-cyclopentylcyclopropyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide?
(2S,3R)-N-(1-cyclopentylcyclopropyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-(1-cyclopentylcyclopropyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide is sourced from PubChem (CID 134713673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).