ethane;bis(1-ethyl-3-methylcyclobutane-1-carboxamide);8-methyl-3-methylidene-2-azaspiro[4.5]decan-1-one

C33H65N3O3 — CID 158643883

IUPACethane;bis(1-ethyl-3-methylcyclobutane-1-carboxamide);8-methyl-3-methylidene-2-azaspiro[4.5]decan-1-one
SMILESC=C1CC2(CCC(C)CC2)C(=O)N1.CC.CC.CC.CCC1(C(N)=O)CC(C)C1.CCC1(C(N)=O)CC(C)C1
InChIInChI=1S/C11H17NO.2C8H15NO.3C2H6/c1-8-3-5-11(6-4-8)7-9(2)12-10(11)13;2*1-3-8(7(9)10)4-6(2)5-8;3*1-2/h8H,2-7H2,1H3,(H,12,13);2*6H,3-5H2,1-2H3,(H2,9,10);3*1-2H3
InChIKeyIASKZVWODADPLL-UHFFFAOYSA-N
MW551.90 g/mol
LogP7.89
Rot. Bonds4

About ethane;bis(1-ethyl-3-methylcyclobutane-1-carboxamide);8-methyl-3-methylidene-2-azaspiro[4.5]decan-1-one

ethane;bis(1-ethyl-3-methylcyclobutane-1-carboxamide);8-methyl-3-methylidene-2-azaspiro[4.5]decan-1-one (PubChem CID 158643883) has the molecular formula C33H65N3O3 and a molecular weight of 551.90 g/mol. Its IUPAC name is ethane;bis(1-ethyl-3-methylcyclobutane-1-carboxamide);8-methyl-3-methylidene-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Nameethane;bis(1-ethyl-3-methylcyclobutane-1-carboxamide);8-methyl-3-methylidene-2-azaspiro[4.5]decan-1-one
PubChem CID158643883
Molecular FormulaC33H65N3O3
Molecular Weight551.90 g/mol
Exact Mass551.50
IUPAC Nameethane;bis(1-ethyl-3-methylcyclobutane-1-carboxamide);8-methyl-3-methylidene-2-azaspiro[4.5]decan-1-one
SMILESC=C1CC2(CCC(C)CC2)C(=O)N1.CC.CC.CC.CCC1(C(N)=O)CC(C)C1.CCC1(C(N)=O)CC(C)C1
InChIInChI=1S/C11H17NO.2C8H15NO.3C2H6/c1-8-3-5-11(6-4-8)7-9(2)12-10(11)13;2*1-3-8(7(9)10)4-6(2)5-8;3*1-2/h8H,2-7H2,1H3,(H,12,13);2*6H,3-5H2,1-2H3,(H2,9,10);3*1-2H3
InChIKeyIASKZVWODADPLL-UHFFFAOYSA-N
XLogP7.89
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.90
LogP ≤ 57.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;bis(1-ethyl-3-methylcyclobutane-1-carboxamide);8-methyl-3-methylidene-2-azaspiro[4.5]decan-1-one?
The IUPAC name of ethane;bis(1-ethyl-3-methylcyclobutane-1-carboxamide);8-methyl-3-methylidene-2-azaspiro[4.5]decan-1-one (CID 158643883) is ethane;bis(1-ethyl-3-methylcyclobutane-1-carboxamide);8-methyl-3-methylidene-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for ethane;bis(1-ethyl-3-methylcyclobutane-1-carboxamide);8-methyl-3-methylidene-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for ethane;bis(1-ethyl-3-methylcyclobutane-1-carboxamide);8-methyl-3-methylidene-2-azaspiro[4.5]decan-1-one is C=C1CC2(CCC(C)CC2)C(=O)N1.CC.CC.CC.CCC1(C(N)=O)CC(C)C1.CCC1(C(N)=O)CC(C)C1.
What is the InChIKey of ethane;bis(1-ethyl-3-methylcyclobutane-1-carboxamide);8-methyl-3-methylidene-2-azaspiro[4.5]decan-1-one?
The InChIKey is IASKZVWODADPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.2C8H15NO.3C2H6/c1-8-3-5-11(6-4-8)7-9(2)12-10(11)13;2*1-3-8(7(9)10)4-6(2)5-8;3*1-2/h8H,2-7H2,1H3,(H,12,13);2*6H,3-5H2,1-2H3,(H2,9,10);3*1-2H3.
What are the key properties of ethane;bis(1-ethyl-3-methylcyclobutane-1-carboxamide);8-methyl-3-methylidene-2-azaspiro[4.5]decan-1-one?
ethane;bis(1-ethyl-3-methylcyclobutane-1-carboxamide);8-methyl-3-methylidene-2-azaspiro[4.5]decan-1-one has a molecular weight of 551.90 g/mol, XLogP of 7.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(1-ethyl-3-methylcyclobutane-1-carboxamide);8-methyl-3-methylidene-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 158643883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).