(3R)-N-(3-cyclohexyloxypropyl)-4-(2,2-difluoroethyl)morpholine-3-carboxamide

C16H28F2N2O3 — CID 99785870

IUPAC(3R)-N-(3-cyclohexyloxypropyl)-4-(2,2-difluoroethyl)morpholine-3-carboxamide
SMILESO=C(NCCCOC1CCCCC1)[C@H]1COCCN1CC(F)F
InChIInChI=1S/C16H28F2N2O3/c17-15(18)11-20-8-10-22-12-14(20)16(21)19-7-4-9-23-13-5-2-1-3-6-13/h13-15H,1-12H2,(H,19,21)/t14-/m1/s1
InChIKeyZISJMBWHYWLBEM-CQSZACIVSA-N
MW334.41 g/mol
LogP1.81
Rot. Bonds8

About (3R)-N-(3-cyclohexyloxypropyl)-4-(2,2-difluoroethyl)morpholine-3-carboxamide

(3R)-N-(3-cyclohexyloxypropyl)-4-(2,2-difluoroethyl)morpholine-3-carboxamide (PubChem CID 99785870) has the molecular formula C16H28F2N2O3 and a molecular weight of 334.41 g/mol. Its IUPAC name is (3R)-N-(3-cyclohexyloxypropyl)-4-(2,2-difluoroethyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-cyclohexyloxypropyl)-4-(2,2-difluoroethyl)morpholine-3-carboxamide
PubChem CID99785870
Molecular FormulaC16H28F2N2O3
Molecular Weight334.41 g/mol
Exact Mass334.21
IUPAC Name(3R)-N-(3-cyclohexyloxypropyl)-4-(2,2-difluoroethyl)morpholine-3-carboxamide
SMILESO=C(NCCCOC1CCCCC1)[C@H]1COCCN1CC(F)F
InChIInChI=1S/C16H28F2N2O3/c17-15(18)11-20-8-10-22-12-14(20)16(21)19-7-4-9-23-13-5-2-1-3-6-13/h13-15H,1-12H2,(H,19,21)/t14-/m1/s1
InChIKeyZISJMBWHYWLBEM-CQSZACIVSA-N
XLogP1.81
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-cyclohexyloxypropyl)-4-(2,2-difluoroethyl)morpholine-3-carboxamide?
The IUPAC name of (3R)-N-(3-cyclohexyloxypropyl)-4-(2,2-difluoroethyl)morpholine-3-carboxamide (CID 99785870) is (3R)-N-(3-cyclohexyloxypropyl)-4-(2,2-difluoroethyl)morpholine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3-cyclohexyloxypropyl)-4-(2,2-difluoroethyl)morpholine-3-carboxamide?
The canonical SMILES for (3R)-N-(3-cyclohexyloxypropyl)-4-(2,2-difluoroethyl)morpholine-3-carboxamide is O=C(NCCCOC1CCCCC1)[C@H]1COCCN1CC(F)F.
What is the InChIKey of (3R)-N-(3-cyclohexyloxypropyl)-4-(2,2-difluoroethyl)morpholine-3-carboxamide?
The InChIKey is ZISJMBWHYWLBEM-CQSZACIVSA-N. The full InChI is InChI=1S/C16H28F2N2O3/c17-15(18)11-20-8-10-22-12-14(20)16(21)19-7-4-9-23-13-5-2-1-3-6-13/h13-15H,1-12H2,(H,19,21)/t14-/m1/s1.
What are the key properties of (3R)-N-(3-cyclohexyloxypropyl)-4-(2,2-difluoroethyl)morpholine-3-carboxamide?
(3R)-N-(3-cyclohexyloxypropyl)-4-(2,2-difluoroethyl)morpholine-3-carboxamide has a molecular weight of 334.41 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-cyclohexyloxypropyl)-4-(2,2-difluoroethyl)morpholine-3-carboxamide is sourced from PubChem (CID 99785870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).