N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]-N-methyl-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide

C14H25N3O3 — CID 178020024

IUPACN-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]-N-methyl-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide
SMILESCCNC(=O)C(C(C)C)N(C)C(=O)N1CC2(COC2)C1
InChIInChI=1S/C14H25N3O3/c1-5-15-12(18)11(10(2)3)16(4)13(19)17-6-14(7-17)8-20-9-14/h10-11H,5-9H2,1-4H3,(H,15,18)
InChIKeyVOOXYXZAJQXHLR-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.53
Rot. Bonds4

About N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]-N-methyl-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide

N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]-N-methyl-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide (PubChem CID 178020024) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]-N-methyl-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide.

Molecular Properties

Compound NameN-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]-N-methyl-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide
PubChem CID178020024
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC NameN-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]-N-methyl-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide
SMILESCCNC(=O)C(C(C)C)N(C)C(=O)N1CC2(COC2)C1
InChIInChI=1S/C14H25N3O3/c1-5-15-12(18)11(10(2)3)16(4)13(19)17-6-14(7-17)8-20-9-14/h10-11H,5-9H2,1-4H3,(H,15,18)
InChIKeyVOOXYXZAJQXHLR-UHFFFAOYSA-N
XLogP0.53
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]-N-methyl-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide?
The IUPAC name of N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]-N-methyl-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide (CID 178020024) is N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]-N-methyl-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide.
What is the SMILES notation for N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]-N-methyl-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide?
The canonical SMILES for N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]-N-methyl-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide is CCNC(=O)C(C(C)C)N(C)C(=O)N1CC2(COC2)C1.
What is the InChIKey of N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]-N-methyl-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide?
The InChIKey is VOOXYXZAJQXHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-5-15-12(18)11(10(2)3)16(4)13(19)17-6-14(7-17)8-20-9-14/h10-11H,5-9H2,1-4H3,(H,15,18).
What are the key properties of N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]-N-methyl-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide?
N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]-N-methyl-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide has a molecular weight of 283.37 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]-N-methyl-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide is sourced from PubChem (CID 178020024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).