(5R)-3-methyl-9-[1-(4-methylphenyl)cyclopropanecarbonyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

C20H26N2O3 — CID 95722297

IUPAC(5R)-3-methyl-9-[1-(4-methylphenyl)cyclopropanecarbonyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESCc1ccc(C2(C(=O)N3CCC[C@@]4(CC3)CN(C)C(=O)O4)CC2)cc1
InChIInChI=1S/C20H26N2O3/c1-15-4-6-16(7-5-15)20(9-10-20)17(23)22-12-3-8-19(11-13-22)14-21(2)18(24)25-19/h4-7H,3,8-14H2,1-2H3/t19-/m1/s1
InChIKeyHVCUMLFVSDDJPT-LJQANCHMSA-N
MW342.44 g/mol
LogP2.86
Rot. Bonds2

About (5R)-3-methyl-9-[1-(4-methylphenyl)cyclopropanecarbonyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

(5R)-3-methyl-9-[1-(4-methylphenyl)cyclopropanecarbonyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (PubChem CID 95722297) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is (5R)-3-methyl-9-[1-(4-methylphenyl)cyclopropanecarbonyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name(5R)-3-methyl-9-[1-(4-methylphenyl)cyclopropanecarbonyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
PubChem CID95722297
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name(5R)-3-methyl-9-[1-(4-methylphenyl)cyclopropanecarbonyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESCc1ccc(C2(C(=O)N3CCC[C@@]4(CC3)CN(C)C(=O)O4)CC2)cc1
InChIInChI=1S/C20H26N2O3/c1-15-4-6-16(7-5-15)20(9-10-20)17(23)22-12-3-8-19(11-13-22)14-21(2)18(24)25-19/h4-7H,3,8-14H2,1-2H3/t19-/m1/s1
InChIKeyHVCUMLFVSDDJPT-LJQANCHMSA-N
XLogP2.86
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-methyl-9-[1-(4-methylphenyl)cyclopropanecarbonyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of (5R)-3-methyl-9-[1-(4-methylphenyl)cyclopropanecarbonyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (CID 95722297) is (5R)-3-methyl-9-[1-(4-methylphenyl)cyclopropanecarbonyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for (5R)-3-methyl-9-[1-(4-methylphenyl)cyclopropanecarbonyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for (5R)-3-methyl-9-[1-(4-methylphenyl)cyclopropanecarbonyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is Cc1ccc(C2(C(=O)N3CCC[C@@]4(CC3)CN(C)C(=O)O4)CC2)cc1.
What is the InChIKey of (5R)-3-methyl-9-[1-(4-methylphenyl)cyclopropanecarbonyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is HVCUMLFVSDDJPT-LJQANCHMSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-15-4-6-16(7-5-15)20(9-10-20)17(23)22-12-3-8-19(11-13-22)14-21(2)18(24)25-19/h4-7H,3,8-14H2,1-2H3/t19-/m1/s1.
What are the key properties of (5R)-3-methyl-9-[1-(4-methylphenyl)cyclopropanecarbonyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
(5R)-3-methyl-9-[1-(4-methylphenyl)cyclopropanecarbonyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 342.44 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-methyl-9-[1-(4-methylphenyl)cyclopropanecarbonyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 95722297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).