7-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide

C15H27N3O3 — CID 114945432

IUPAC7-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
SMILESCC(NC(=O)C1(N)C2CCCOC2C1(C)C)C(=O)N(C)C
InChIInChI=1S/C15H27N3O3/c1-9(12(19)18(4)5)17-13(20)15(16)10-7-6-8-21-11(10)14(15,2)3/h9-11H,6-8,16H2,1-5H3,(H,17,20)
InChIKeyWLUZTWOBURHCPE-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.11
Rot. Bonds3

About 7-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide

7-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide (PubChem CID 114945432) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 7-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide.

Molecular Properties

Compound Name7-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
PubChem CID114945432
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name7-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
SMILESCC(NC(=O)C1(N)C2CCCOC2C1(C)C)C(=O)N(C)C
InChIInChI=1S/C15H27N3O3/c1-9(12(19)18(4)5)17-13(20)15(16)10-7-6-8-21-11(10)14(15,2)3/h9-11H,6-8,16H2,1-5H3,(H,17,20)
InChIKeyWLUZTWOBURHCPE-UHFFFAOYSA-N
XLogP0.11
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide with MolForge

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Related Compounds

7-amino-N-[(1S)-1-cyclopentylethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 104985278
7-amino-N-but-3-yn-2-yl-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946989
2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]propanoic acid
CID 114945681
7-amino-N-(4-methoxybutan-2-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946189
7-amino-N-cyclopentyl-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945025
7-amino-N-(1-hydroxypentan-3-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946739
7-amino-N-(3-hydroxy-2-methylpropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946216
7-amino-N-(2-cyclopropylpropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946645
7-amino-8,8-dimethyl-N-[2-(methylamino)-2-oxoethyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945312
7-amino-N-(2,2-difluoroethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946451
7-amino-8,8-dimethyl-N-(2,3,3-trimethylbutyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946542
7-amino-N-(2-cyclopentylethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945528

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide?
The IUPAC name of 7-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide (CID 114945432) is 7-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide.
What is the SMILES notation for 7-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide?
The canonical SMILES for 7-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide is CC(NC(=O)C1(N)C2CCCOC2C1(C)C)C(=O)N(C)C.
What is the InChIKey of 7-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide?
The InChIKey is WLUZTWOBURHCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-9(12(19)18(4)5)17-13(20)15(16)10-7-6-8-21-11(10)14(15,2)3/h9-11H,6-8,16H2,1-5H3,(H,17,20).
What are the key properties of 7-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide?
7-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide is sourced from PubChem (CID 114945432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).