(2S,3S)-N-(cyclopentylmethyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide

C18H24N2O3 — CID 95738039

IUPAC(2S,3S)-N-(cyclopentylmethyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCN1C(=O)CO[C@H](C(=O)NCC2CCCC2)[C@@H]1c1ccccc1
InChIInChI=1S/C18H24N2O3/c1-20-15(21)12-23-17(16(20)14-9-3-2-4-10-14)18(22)19-11-13-7-5-6-8-13/h2-4,9-10,13,16-17H,5-8,11-12H2,1H3,(H,19,22)/t16-,17-/m0/s1
InChIKeyXRVUKBHLGMTVRV-IRXDYDNUSA-N
MW316.40 g/mol
LogP1.89
Rot. Bonds4

About (2S,3S)-N-(cyclopentylmethyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide

(2S,3S)-N-(cyclopentylmethyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide (PubChem CID 95738039) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is (2S,3S)-N-(cyclopentylmethyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-(cyclopentylmethyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
PubChem CID95738039
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name(2S,3S)-N-(cyclopentylmethyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCN1C(=O)CO[C@H](C(=O)NCC2CCCC2)[C@@H]1c1ccccc1
InChIInChI=1S/C18H24N2O3/c1-20-15(21)12-23-17(16(20)14-9-3-2-4-10-14)18(22)19-11-13-7-5-6-8-13/h2-4,9-10,13,16-17H,5-8,11-12H2,1H3,(H,19,22)/t16-,17-/m0/s1
InChIKeyXRVUKBHLGMTVRV-IRXDYDNUSA-N
XLogP1.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-(cyclopentylmethyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The IUPAC name of (2S,3S)-N-(cyclopentylmethyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide (CID 95738039) is (2S,3S)-N-(cyclopentylmethyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide.
What is the SMILES notation for (2S,3S)-N-(cyclopentylmethyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The canonical SMILES for (2S,3S)-N-(cyclopentylmethyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide is CN1C(=O)CO[C@H](C(=O)NCC2CCCC2)[C@@H]1c1ccccc1.
What is the InChIKey of (2S,3S)-N-(cyclopentylmethyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The InChIKey is XRVUKBHLGMTVRV-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-20-15(21)12-23-17(16(20)14-9-3-2-4-10-14)18(22)19-11-13-7-5-6-8-13/h2-4,9-10,13,16-17H,5-8,11-12H2,1H3,(H,19,22)/t16-,17-/m0/s1.
What are the key properties of (2S,3S)-N-(cyclopentylmethyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
(2S,3S)-N-(cyclopentylmethyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-(cyclopentylmethyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide is sourced from PubChem (CID 95738039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).