(2R)-N-(2,6-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylacetamide

C23H28N2O3 — CID 94778881

IUPAC(2R)-N-(2,6-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylacetamide
SMILESCc1cccc(C)c1NC(=O)[C@@H](c1ccccc1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C23H28N2O3/c1-17-7-6-8-18(2)20(17)24-22(26)21(19-9-4-3-5-10-19)25-13-11-23(12-14-25)27-15-16-28-23/h3-10,21H,11-16H2,1-2H3,(H,24,26)/t21-/m1/s1
InChIKeyCETAHUPCWGEHBF-OAQYLSRUSA-N
MW380.49 g/mol
LogP3.82
Rot. Bonds4

About (2R)-N-(2,6-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylacetamide

(2R)-N-(2,6-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylacetamide (PubChem CID 94778881) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is (2R)-N-(2,6-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-(2,6-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylacetamide
PubChem CID94778881
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name(2R)-N-(2,6-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylacetamide
SMILESCc1cccc(C)c1NC(=O)[C@@H](c1ccccc1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C23H28N2O3/c1-17-7-6-8-18(2)20(17)24-22(26)21(19-9-4-3-5-10-19)25-13-11-23(12-14-25)27-15-16-28-23/h3-10,21H,11-16H2,1-2H3,(H,24,26)/t21-/m1/s1
InChIKeyCETAHUPCWGEHBF-OAQYLSRUSA-N
XLogP3.82
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-(2,6-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylacetamide with MolForge

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Related Compounds

(2S)-2-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 7279324
(2S)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenyl-2-pyrrolidin-1-ylethanone
CID 94750035
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-ethyl-6-methylanilino)ethanone
CID 109003276
N-(2,6-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropane-1-carboxamide
CID 109138754
N-(2,6-dimethylphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 112520650
N-(2,3-dimethylphenyl)-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 136519756
[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium
CID 9248772
(2S)-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 30102769
2-(4-hydroxy-4-methylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 166218963
(2R)-N-(2,6-dimethylphenyl)-2-(3-nitrophenyl)-2-piperidin-1-ylacetamide
CID 1230131
N-(2,6-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-4-carboxamide
CID 109174043
(2S)-N-(2-methylphenyl)-2-morpholin-4-yl-2-(3-nitrophenyl)acetamide
CID 7317186

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,6-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylacetamide?
The IUPAC name of (2R)-N-(2,6-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylacetamide (CID 94778881) is (2R)-N-(2,6-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylacetamide.
What is the SMILES notation for (2R)-N-(2,6-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylacetamide?
The canonical SMILES for (2R)-N-(2,6-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylacetamide is Cc1cccc(C)c1NC(=O)[C@@H](c1ccccc1)N1CCC2(CC1)OCCO2.
What is the InChIKey of (2R)-N-(2,6-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylacetamide?
The InChIKey is CETAHUPCWGEHBF-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-17-7-6-8-18(2)20(17)24-22(26)21(19-9-4-3-5-10-19)25-13-11-23(12-14-25)27-15-16-28-23/h3-10,21H,11-16H2,1-2H3,(H,24,26)/t21-/m1/s1.
What are the key properties of (2R)-N-(2,6-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylacetamide?
(2R)-N-(2,6-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylacetamide has a molecular weight of 380.49 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,6-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylacetamide is sourced from PubChem (CID 94778881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).