(2S)-N-[(1R,3S)-3-cyclopropylcyclohexyl]-2-[(2S)-oxolan-2-yl]morpholine-4-carboxamide

C18H30N2O3 — CID 97068623

IUPAC(2S)-N-[(1R,3S)-3-cyclopropylcyclohexyl]-2-[(2S)-oxolan-2-yl]morpholine-4-carboxamide
SMILESO=C(N[C@@H]1CCC[C@H](C2CC2)C1)N1CCO[C@H]([C@@H]2CCCO2)C1
InChIInChI=1S/C18H30N2O3/c21-18(19-15-4-1-3-14(11-15)13-6-7-13)20-8-10-23-17(12-20)16-5-2-9-22-16/h13-17H,1-12H2,(H,19,21)/t14-,15+,16-,17-/m0/s1
InChIKeyNKYYBRBOYUEWIC-YVSFHVDLSA-N
MW322.45 g/mol
LogP2.54
Rot. Bonds3

About (2S)-N-[(1R,3S)-3-cyclopropylcyclohexyl]-2-[(2S)-oxolan-2-yl]morpholine-4-carboxamide

(2S)-N-[(1R,3S)-3-cyclopropylcyclohexyl]-2-[(2S)-oxolan-2-yl]morpholine-4-carboxamide (PubChem CID 97068623) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is (2S)-N-[(1R,3S)-3-cyclopropylcyclohexyl]-2-[(2S)-oxolan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1R,3S)-3-cyclopropylcyclohexyl]-2-[(2S)-oxolan-2-yl]morpholine-4-carboxamide
PubChem CID97068623
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name(2S)-N-[(1R,3S)-3-cyclopropylcyclohexyl]-2-[(2S)-oxolan-2-yl]morpholine-4-carboxamide
SMILESO=C(N[C@@H]1CCC[C@H](C2CC2)C1)N1CCO[C@H]([C@@H]2CCCO2)C1
InChIInChI=1S/C18H30N2O3/c21-18(19-15-4-1-3-14(11-15)13-6-7-13)20-8-10-23-17(12-20)16-5-2-9-22-16/h13-17H,1-12H2,(H,19,21)/t14-,15+,16-,17-/m0/s1
InChIKeyNKYYBRBOYUEWIC-YVSFHVDLSA-N
XLogP2.54
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R,3S)-3-cyclopropylcyclohexyl]-2-[(2S)-oxolan-2-yl]morpholine-4-carboxamide?
The IUPAC name of (2S)-N-[(1R,3S)-3-cyclopropylcyclohexyl]-2-[(2S)-oxolan-2-yl]morpholine-4-carboxamide (CID 97068623) is (2S)-N-[(1R,3S)-3-cyclopropylcyclohexyl]-2-[(2S)-oxolan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for (2S)-N-[(1R,3S)-3-cyclopropylcyclohexyl]-2-[(2S)-oxolan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for (2S)-N-[(1R,3S)-3-cyclopropylcyclohexyl]-2-[(2S)-oxolan-2-yl]morpholine-4-carboxamide is O=C(N[C@@H]1CCC[C@H](C2CC2)C1)N1CCO[C@H]([C@@H]2CCCO2)C1.
What is the InChIKey of (2S)-N-[(1R,3S)-3-cyclopropylcyclohexyl]-2-[(2S)-oxolan-2-yl]morpholine-4-carboxamide?
The InChIKey is NKYYBRBOYUEWIC-YVSFHVDLSA-N. The full InChI is InChI=1S/C18H30N2O3/c21-18(19-15-4-1-3-14(11-15)13-6-7-13)20-8-10-23-17(12-20)16-5-2-9-22-16/h13-17H,1-12H2,(H,19,21)/t14-,15+,16-,17-/m0/s1.
What are the key properties of (2S)-N-[(1R,3S)-3-cyclopropylcyclohexyl]-2-[(2S)-oxolan-2-yl]morpholine-4-carboxamide?
(2S)-N-[(1R,3S)-3-cyclopropylcyclohexyl]-2-[(2S)-oxolan-2-yl]morpholine-4-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R,3S)-3-cyclopropylcyclohexyl]-2-[(2S)-oxolan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 97068623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).