(2R,3S)-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylmorpholine-3-carboxamide

C17H22F2N2O3 — CID 120929248

IUPAC(2R,3S)-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NC1CCCc2cc(OC(F)F)ccc21
InChIInChI=1S/C17H22F2N2O3/c1-10-15(20-7-8-23-10)16(22)21-14-4-2-3-11-9-12(24-17(18)19)5-6-13(11)14/h5-6,9-10,14-15,17,20H,2-4,7-8H2,1H3,(H,21,22)/t10-,14?,15+/m1/s1
InChIKeyBUSKVVUGPBJDBT-PYUGYUQBSA-N
MW340.37 g/mol
LogP2.16
Rot. Bonds4

About (2R,3S)-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylmorpholine-3-carboxamide

(2R,3S)-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylmorpholine-3-carboxamide (PubChem CID 120929248) has the molecular formula C17H22F2N2O3 and a molecular weight of 340.37 g/mol. Its IUPAC name is (2R,3S)-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylmorpholine-3-carboxamide
PubChem CID120929248
Molecular FormulaC17H22F2N2O3
Molecular Weight340.37 g/mol
Exact Mass340.16
IUPAC Name(2R,3S)-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NC1CCCc2cc(OC(F)F)ccc21
InChIInChI=1S/C17H22F2N2O3/c1-10-15(20-7-8-23-10)16(22)21-14-4-2-3-11-9-12(24-17(18)19)5-6-13(11)14/h5-6,9-10,14-15,17,20H,2-4,7-8H2,1H3,(H,21,22)/t10-,14?,15+/m1/s1
InChIKeyBUSKVVUGPBJDBT-PYUGYUQBSA-N
XLogP2.16
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylmorpholine-3-carboxamide (CID 120929248) is (2R,3S)-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylmorpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)NC1CCCc2cc(OC(F)F)ccc21.
What is the InChIKey of (2R,3S)-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylmorpholine-3-carboxamide?
The InChIKey is BUSKVVUGPBJDBT-PYUGYUQBSA-N. The full InChI is InChI=1S/C17H22F2N2O3/c1-10-15(20-7-8-23-10)16(22)21-14-4-2-3-11-9-12(24-17(18)19)5-6-13(11)14/h5-6,9-10,14-15,17,20H,2-4,7-8H2,1H3,(H,21,22)/t10-,14?,15+/m1/s1.
What are the key properties of (2R,3S)-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylmorpholine-3-carboxamide has a molecular weight of 340.37 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120929248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).