4-amino-1-benzyl-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one

C16H21N3O2 — CID 79972969

IUPAC4-amino-1-benzyl-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCC1(C)CC2(CCO1)C(N)=NC(=O)N2Cc1ccccc1
InChIInChI=1S/C16H21N3O2/c1-15(2)11-16(8-9-21-15)13(17)18-14(20)19(16)10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H2,17,18,20)
InChIKeyBXFNFOWAURVPFV-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.31
Rot. Bonds2

About 4-amino-1-benzyl-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one

4-amino-1-benzyl-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 79972969) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-amino-1-benzyl-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-benzyl-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one
PubChem CID79972969
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-amino-1-benzyl-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCC1(C)CC2(CCO1)C(N)=NC(=O)N2Cc1ccccc1
InChIInChI=1S/C16H21N3O2/c1-15(2)11-16(8-9-21-15)13(17)18-14(20)19(16)10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H2,17,18,20)
InChIKeyBXFNFOWAURVPFV-UHFFFAOYSA-N
XLogP2.31
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-amino-1-benzyl-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one with MolForge

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Related Compounds

4-amino-1-benzyl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one
CID 79967312
4-amino-1-benzyl-8-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 79967037
4-amino-1-benzyl-9-oxa-1,3-diazaspiro[4.6]undec-3-en-2-one
CID 79967038
4-amino-1-benzyl-9,9-dimethyl-1,3-diazaspiro[4.4]non-3-en-2-one
CID 79967773
4-amino-7-benzyl-1-ethyl-1,3,7-triazaspiro[4.4]non-3-en-2-one
CID 79961988
4-amino-1-benzyl-7,7,9-trimethyl-1,3-diazaspiro[4.4]non-3-en-2-one
CID 106664537
4-amino-1-benzyl-5-(2,2-dimethoxyethyl)-5-methylimidazol-2-one
CID 79972959
4-amino-8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 58949885
4-amino-1-benzyl-6-ethyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 114510779
4'-amino-1'-benzylspiro[1,2,3,5,6,8-hexahydropyrrolizine-7,5'-imidazole]-2'-one
CID 82855845
4-amino-7-ethyl-7-methyl-1-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79968352
4-amino-1-prop-2-enyl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one
CID 79967426

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-benzyl-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-1-benzyl-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one (CID 79972969) is 4-amino-1-benzyl-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-1-benzyl-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-1-benzyl-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one is CC1(C)CC2(CCO1)C(N)=NC(=O)N2Cc1ccccc1.
What is the InChIKey of 4-amino-1-benzyl-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is BXFNFOWAURVPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-15(2)11-16(8-9-21-15)13(17)18-14(20)19(16)10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H2,17,18,20).
What are the key properties of 4-amino-1-benzyl-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one?
4-amino-1-benzyl-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 287.36 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-benzyl-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 79972969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).