(2R,3R,6R)-2,3-dimethyl-6-phenyl-N-phenylmethoxy-1,4-dioxaspiro[4.5]decan-6-amine

C23H29NO3 — CID 101473708

IUPAC(2R,3R,6R)-2,3-dimethyl-6-phenyl-N-phenylmethoxy-1,4-dioxaspiro[4.5]decan-6-amine
SMILESC[C@H]1OC2(CCCC[C@@]2(NOCc2ccccc2)c2ccccc2)O[C@@H]1C
InChIInChI=1S/C23H29NO3/c1-18-19(2)27-23(26-18)16-10-9-15-22(23,21-13-7-4-8-14-21)24-25-17-20-11-5-3-6-12-20/h3-8,11-14,18-19,24H,9-10,15-17H2,1-2H3/t18-,19-,22-/m1/s1
InChIKeyGSHVYLHFJXFMDY-WOIUINJBSA-N
MW367.49 g/mol
LogP4.70
Rot. Bonds5

About (2R,3R,6R)-2,3-dimethyl-6-phenyl-N-phenylmethoxy-1,4-dioxaspiro[4.5]decan-6-amine

(2R,3R,6R)-2,3-dimethyl-6-phenyl-N-phenylmethoxy-1,4-dioxaspiro[4.5]decan-6-amine (PubChem CID 101473708) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is (2R,3R,6R)-2,3-dimethyl-6-phenyl-N-phenylmethoxy-1,4-dioxaspiro[4.5]decan-6-amine.

Molecular Properties

Compound Name(2R,3R,6R)-2,3-dimethyl-6-phenyl-N-phenylmethoxy-1,4-dioxaspiro[4.5]decan-6-amine
PubChem CID101473708
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name(2R,3R,6R)-2,3-dimethyl-6-phenyl-N-phenylmethoxy-1,4-dioxaspiro[4.5]decan-6-amine
SMILESC[C@H]1OC2(CCCC[C@@]2(NOCc2ccccc2)c2ccccc2)O[C@@H]1C
InChIInChI=1S/C23H29NO3/c1-18-19(2)27-23(26-18)16-10-9-15-22(23,21-13-7-4-8-14-21)24-25-17-20-11-5-3-6-12-20/h3-8,11-14,18-19,24H,9-10,15-17H2,1-2H3/t18-,19-,22-/m1/s1
InChIKeyGSHVYLHFJXFMDY-WOIUINJBSA-N
XLogP4.70
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,6R)-2,3-dimethyl-6-phenyl-N-phenylmethoxy-1,4-dioxaspiro[4.5]decan-6-amine?
The IUPAC name of (2R,3R,6R)-2,3-dimethyl-6-phenyl-N-phenylmethoxy-1,4-dioxaspiro[4.5]decan-6-amine (CID 101473708) is (2R,3R,6R)-2,3-dimethyl-6-phenyl-N-phenylmethoxy-1,4-dioxaspiro[4.5]decan-6-amine.
What is the SMILES notation for (2R,3R,6R)-2,3-dimethyl-6-phenyl-N-phenylmethoxy-1,4-dioxaspiro[4.5]decan-6-amine?
The canonical SMILES for (2R,3R,6R)-2,3-dimethyl-6-phenyl-N-phenylmethoxy-1,4-dioxaspiro[4.5]decan-6-amine is C[C@H]1OC2(CCCC[C@@]2(NOCc2ccccc2)c2ccccc2)O[C@@H]1C.
What is the InChIKey of (2R,3R,6R)-2,3-dimethyl-6-phenyl-N-phenylmethoxy-1,4-dioxaspiro[4.5]decan-6-amine?
The InChIKey is GSHVYLHFJXFMDY-WOIUINJBSA-N. The full InChI is InChI=1S/C23H29NO3/c1-18-19(2)27-23(26-18)16-10-9-15-22(23,21-13-7-4-8-14-21)24-25-17-20-11-5-3-6-12-20/h3-8,11-14,18-19,24H,9-10,15-17H2,1-2H3/t18-,19-,22-/m1/s1.
What are the key properties of (2R,3R,6R)-2,3-dimethyl-6-phenyl-N-phenylmethoxy-1,4-dioxaspiro[4.5]decan-6-amine?
(2R,3R,6R)-2,3-dimethyl-6-phenyl-N-phenylmethoxy-1,4-dioxaspiro[4.5]decan-6-amine has a molecular weight of 367.49 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,6R)-2,3-dimethyl-6-phenyl-N-phenylmethoxy-1,4-dioxaspiro[4.5]decan-6-amine is sourced from PubChem (CID 101473708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).