N-[2-[butyl(ethyl)amino]ethyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

C20H35N3O3 — CID 20906686

IUPACN-[2-[butyl(ethyl)amino]ethyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCCCCN(CC)CCNC(=O)C1=C(C)C(=O)OC12CCN(CC)CC2
InChIInChI=1S/C20H35N3O3/c1-5-8-12-22(6-2)15-11-21-18(24)17-16(4)19(25)26-20(17)9-13-23(7-3)14-10-20/h5-15H2,1-4H3,(H,21,24)
InChIKeyVSSPJELLTLMBKZ-UHFFFAOYSA-N
MW365.52 g/mol
LogP1.95
Rot. Bonds9

About N-[2-[butyl(ethyl)amino]ethyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

N-[2-[butyl(ethyl)amino]ethyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (PubChem CID 20906686) has the molecular formula C20H35N3O3 and a molecular weight of 365.52 g/mol. Its IUPAC name is N-[2-[butyl(ethyl)amino]ethyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.

Molecular Properties

Compound NameN-[2-[butyl(ethyl)amino]ethyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
PubChem CID20906686
Molecular FormulaC20H35N3O3
Molecular Weight365.52 g/mol
Exact Mass365.27
IUPAC NameN-[2-[butyl(ethyl)amino]ethyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCCCCN(CC)CCNC(=O)C1=C(C)C(=O)OC12CCN(CC)CC2
InChIInChI=1S/C20H35N3O3/c1-5-8-12-22(6-2)15-11-21-18(24)17-16(4)19(25)26-20(17)9-13-23(7-3)14-10-20/h5-15H2,1-4H3,(H,21,24)
InChIKeyVSSPJELLTLMBKZ-UHFFFAOYSA-N
XLogP1.95
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[butyl(ethyl)amino]ethyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The IUPAC name of N-[2-[butyl(ethyl)amino]ethyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (CID 20906686) is N-[2-[butyl(ethyl)amino]ethyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.
What is the SMILES notation for N-[2-[butyl(ethyl)amino]ethyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The canonical SMILES for N-[2-[butyl(ethyl)amino]ethyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is CCCCN(CC)CCNC(=O)C1=C(C)C(=O)OC12CCN(CC)CC2.
What is the InChIKey of N-[2-[butyl(ethyl)amino]ethyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The InChIKey is VSSPJELLTLMBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O3/c1-5-8-12-22(6-2)15-11-21-18(24)17-16(4)19(25)26-20(17)9-13-23(7-3)14-10-20/h5-15H2,1-4H3,(H,21,24).
What are the key properties of N-[2-[butyl(ethyl)amino]ethyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
N-[2-[butyl(ethyl)amino]ethyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide has a molecular weight of 365.52 g/mol, XLogP of 1.95, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[butyl(ethyl)amino]ethyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is sourced from PubChem (CID 20906686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).