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

C20H30N2O2 — CID 56888389

IUPACN-butyl-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroindene-2-carboxamide
SMILESCCCCNC(=O)C1(N2C[C@@H](C)O[C@@H](C)C2)Cc2ccccc2C1
InChIInChI=1S/C20H30N2O2/c1-4-5-10-21-19(23)20(22-13-15(2)24-16(3)14-22)11-17-8-6-7-9-18(17)12-20/h6-9,15-16H,4-5,10-14H2,1-3H3,(H,21,23)/t15-,16+
InChIKeyXFFWVDGJZUSQGZ-IYBDPMFKSA-N
MW330.47 g/mol
LogP2.55
Rot. Bonds5

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

N-butyl-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroindene-2-carboxamide (PubChem CID 56888389) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-butyl-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound NameN-butyl-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroindene-2-carboxamide
PubChem CID56888389
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC NameN-butyl-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroindene-2-carboxamide
SMILESCCCCNC(=O)C1(N2C[C@@H](C)O[C@@H](C)C2)Cc2ccccc2C1
InChIInChI=1S/C20H30N2O2/c1-4-5-10-21-19(23)20(22-13-15(2)24-16(3)14-22)11-17-8-6-7-9-18(17)12-20/h6-9,15-16H,4-5,10-14H2,1-3H3,(H,21,23)/t15-,16+
InChIKeyXFFWVDGJZUSQGZ-IYBDPMFKSA-N
XLogP2.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-butyl-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroindene-2-carboxamide?
The IUPAC name of N-butyl-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroindene-2-carboxamide (CID 56888389) is N-butyl-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for N-butyl-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for N-butyl-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroindene-2-carboxamide is CCCCNC(=O)C1(N2C[C@@H](C)O[C@@H](C)C2)Cc2ccccc2C1.
What is the InChIKey of N-butyl-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroindene-2-carboxamide?
The InChIKey is XFFWVDGJZUSQGZ-IYBDPMFKSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-4-5-10-21-19(23)20(22-13-15(2)24-16(3)14-22)11-17-8-6-7-9-18(17)12-20/h6-9,15-16H,4-5,10-14H2,1-3H3,(H,21,23)/t15-,16+.
What are the key properties of N-butyl-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroindene-2-carboxamide?
N-butyl-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroindene-2-carboxamide has a molecular weight of 330.47 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 56888389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).