3-methyl-7-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

C16H22N2O4 — CID 56899532

IUPAC3-methyl-7-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCc1oc(C(C)C)cc1C(=O)N1CCC2(CN(C)C(=O)O2)C1
InChIInChI=1S/C16H22N2O4/c1-10(2)13-7-12(11(3)21-13)14(19)18-6-5-16(9-18)8-17(4)15(20)22-16/h7,10H,5-6,8-9H2,1-4H3
InChIKeyHZTFHOXKUVREPT-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.38
Rot. Bonds2

About 3-methyl-7-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

3-methyl-7-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (PubChem CID 56899532) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 3-methyl-7-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name3-methyl-7-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
PubChem CID56899532
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name3-methyl-7-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCc1oc(C(C)C)cc1C(=O)N1CCC2(CN(C)C(=O)O2)C1
InChIInChI=1S/C16H22N2O4/c1-10(2)13-7-12(11(3)21-13)14(19)18-6-5-16(9-18)8-17(4)15(20)22-16/h7,10H,5-6,8-9H2,1-4H3
InChIKeyHZTFHOXKUVREPT-UHFFFAOYSA-N
XLogP2.38
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The IUPAC name of 3-methyl-7-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (CID 56899532) is 3-methyl-7-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for 3-methyl-7-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for 3-methyl-7-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is Cc1oc(C(C)C)cc1C(=O)N1CCC2(CN(C)C(=O)O2)C1.
What is the InChIKey of 3-methyl-7-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The InChIKey is HZTFHOXKUVREPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-10(2)13-7-12(11(3)21-13)14(19)18-6-5-16(9-18)8-17(4)15(20)22-16/h7,10H,5-6,8-9H2,1-4H3.
What are the key properties of 3-methyl-7-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
3-methyl-7-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 306.36 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 56899532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).