4-amino-1-(2-methylpropyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one

C14H25N3O2 — CID 79959490

IUPAC4-amino-1-(2-methylpropyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCC(C)CN1C(=O)N=C(N)C12CCOC(C(C)C)C2
InChIInChI=1S/C14H25N3O2/c1-9(2)8-17-13(18)16-12(15)14(17)5-6-19-11(7-14)10(3)4/h9-11H,5-8H2,1-4H3,(H2,15,16,18)
InChIKeyWVWWVTJRDATNIE-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.01
Rot. Bonds3

About 4-amino-1-(2-methylpropyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one

4-amino-1-(2-methylpropyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 79959490) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-amino-1-(2-methylpropyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-(2-methylpropyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one
PubChem CID79959490
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name4-amino-1-(2-methylpropyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCC(C)CN1C(=O)N=C(N)C12CCOC(C(C)C)C2
InChIInChI=1S/C14H25N3O2/c1-9(2)8-17-13(18)16-12(15)14(17)5-6-19-11(7-14)10(3)4/h9-11H,5-8H2,1-4H3,(H2,15,16,18)
InChIKeyWVWWVTJRDATNIE-UHFFFAOYSA-N
XLogP2.01
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-methylpropyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-1-(2-methylpropyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one (CID 79959490) is 4-amino-1-(2-methylpropyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-1-(2-methylpropyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-1-(2-methylpropyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one is CC(C)CN1C(=O)N=C(N)C12CCOC(C(C)C)C2.
What is the InChIKey of 4-amino-1-(2-methylpropyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is WVWWVTJRDATNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-9(2)8-17-13(18)16-12(15)14(17)5-6-19-11(7-14)10(3)4/h9-11H,5-8H2,1-4H3,(H2,15,16,18).
What are the key properties of 4-amino-1-(2-methylpropyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one?
4-amino-1-(2-methylpropyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 267.37 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-methylpropyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 79959490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).