(4-methylphenyl)-(3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone

C18H24N2O2 — CID 134795115

IUPAC(4-methylphenyl)-(3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone
SMILESCc1ccc(C(=O)N2CCC3(CC2)CC(C(C)C)=NO3)cc1
InChIInChI=1S/C18H24N2O2/c1-13(2)16-12-18(22-19-16)8-10-20(11-9-18)17(21)15-6-4-14(3)5-7-15/h4-7,13H,8-12H2,1-3H3
InChIKeyZCJWMKNOSFYYNU-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.40
Rot. Bonds2

About (4-methylphenyl)-(3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone

(4-methylphenyl)-(3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone (PubChem CID 134795115) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is (4-methylphenyl)-(3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone.

Molecular Properties

Compound Name(4-methylphenyl)-(3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone
PubChem CID134795115
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name(4-methylphenyl)-(3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone
SMILESCc1ccc(C(=O)N2CCC3(CC2)CC(C(C)C)=NO3)cc1
InChIInChI=1S/C18H24N2O2/c1-13(2)16-12-18(22-19-16)8-10-20(11-9-18)17(21)15-6-4-14(3)5-7-15/h4-7,13H,8-12H2,1-3H3
InChIKeyZCJWMKNOSFYYNU-UHFFFAOYSA-N
XLogP3.40
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone?
The IUPAC name of (4-methylphenyl)-(3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone (CID 134795115) is (4-methylphenyl)-(3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone.
What is the SMILES notation for (4-methylphenyl)-(3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone?
The canonical SMILES for (4-methylphenyl)-(3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone is Cc1ccc(C(=O)N2CCC3(CC2)CC(C(C)C)=NO3)cc1.
What is the InChIKey of (4-methylphenyl)-(3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone?
The InChIKey is ZCJWMKNOSFYYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13(2)16-12-18(22-19-16)8-10-20(11-9-18)17(21)15-6-4-14(3)5-7-15/h4-7,13H,8-12H2,1-3H3.
What are the key properties of (4-methylphenyl)-(3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone?
(4-methylphenyl)-(3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone has a molecular weight of 300.40 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone is sourced from PubChem (CID 134795115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).