2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,N-dimethyl-1,3-dihydroindene-2-carboxamide

C18H26N2O2 — CID 56886738

IUPAC2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,N-dimethyl-1,3-dihydroindene-2-carboxamide
SMILESC[C@@H]1CN(C2(C(=O)N(C)C)Cc3ccccc3C2)C[C@H](C)O1
InChIInChI=1S/C18H26N2O2/c1-13-11-20(12-14(2)22-13)18(17(21)19(3)4)9-15-7-5-6-8-16(15)10-18/h5-8,13-14H,9-12H2,1-4H3/t13-,14+
InChIKeyBNDBHWMCZDYERN-OKILXGFUSA-N
MW302.42 g/mol
LogP1.72
Rot. Bonds2

About 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,N-dimethyl-1,3-dihydroindene-2-carboxamide

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,N-dimethyl-1,3-dihydroindene-2-carboxamide (PubChem CID 56886738) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,N-dimethyl-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,N-dimethyl-1,3-dihydroindene-2-carboxamide
PubChem CID56886738
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,N-dimethyl-1,3-dihydroindene-2-carboxamide
SMILESC[C@@H]1CN(C2(C(=O)N(C)C)Cc3ccccc3C2)C[C@H](C)O1
InChIInChI=1S/C18H26N2O2/c1-13-11-20(12-14(2)22-13)18(17(21)19(3)4)9-15-7-5-6-8-16(15)10-18/h5-8,13-14H,9-12H2,1-4H3/t13-,14+
InChIKeyBNDBHWMCZDYERN-OKILXGFUSA-N
XLogP1.72
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,N-dimethyl-1,3-dihydroindene-2-carboxamide?
The IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,N-dimethyl-1,3-dihydroindene-2-carboxamide (CID 56886738) is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,N-dimethyl-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,N-dimethyl-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,N-dimethyl-1,3-dihydroindene-2-carboxamide is C[C@@H]1CN(C2(C(=O)N(C)C)Cc3ccccc3C2)C[C@H](C)O1.
What is the InChIKey of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,N-dimethyl-1,3-dihydroindene-2-carboxamide?
The InChIKey is BNDBHWMCZDYERN-OKILXGFUSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13-11-20(12-14(2)22-13)18(17(21)19(3)4)9-15-7-5-6-8-16(15)10-18/h5-8,13-14H,9-12H2,1-4H3/t13-,14+.
What are the key properties of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,N-dimethyl-1,3-dihydroindene-2-carboxamide?
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,N-dimethyl-1,3-dihydroindene-2-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,N-dimethyl-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 56886738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).