(5R)-7-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

C20H30N2O3 — CID 95882510

IUPAC(5R)-7-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCCOc1cc(C)c(CN2CC[C@@]3(C2)CN(C)C(=O)O3)cc1C(C)C
InChIInChI=1S/C20H30N2O3/c1-6-24-18-9-15(4)16(10-17(18)14(2)3)11-22-8-7-20(13-22)12-21(5)19(23)25-20/h9-10,14H,6-8,11-13H2,1-5H3/t20-/m0/s1
InChIKeyQYUOCGFFBRAXLL-FQEVSTJZSA-N
MW346.47 g/mol
LogP3.54
Rot. Bonds5

About (5R)-7-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

(5R)-7-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (PubChem CID 95882510) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is (5R)-7-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name(5R)-7-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
PubChem CID95882510
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name(5R)-7-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCCOc1cc(C)c(CN2CC[C@@]3(C2)CN(C)C(=O)O3)cc1C(C)C
InChIInChI=1S/C20H30N2O3/c1-6-24-18-9-15(4)16(10-17(18)14(2)3)11-22-8-7-20(13-22)12-21(5)19(23)25-20/h9-10,14H,6-8,11-13H2,1-5H3/t20-/m0/s1
InChIKeyQYUOCGFFBRAXLL-FQEVSTJZSA-N
XLogP3.54
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-7-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The IUPAC name of (5R)-7-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (CID 95882510) is (5R)-7-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for (5R)-7-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for (5R)-7-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is CCOc1cc(C)c(CN2CC[C@@]3(C2)CN(C)C(=O)O3)cc1C(C)C.
What is the InChIKey of (5R)-7-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The InChIKey is QYUOCGFFBRAXLL-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-6-24-18-9-15(4)16(10-17(18)14(2)3)11-22-8-7-20(13-22)12-21(5)19(23)25-20/h9-10,14H,6-8,11-13H2,1-5H3/t20-/m0/s1.
What are the key properties of (5R)-7-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
(5R)-7-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 346.47 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 95882510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).