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

C21H37N3O3 — CID 20906683

IUPACN-[3-[butyl(ethyl)amino]propyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCCCCN(CC)CCCNC(=O)C1=C(C)C(=O)OC12CCN(CC)CC2
InChIInChI=1S/C21H37N3O3/c1-5-8-13-23(6-2)14-9-12-22-19(25)18-17(4)20(26)27-21(18)10-15-24(7-3)16-11-21/h5-16H2,1-4H3,(H,22,25)
InChIKeyBCKLKXILIYHQKE-UHFFFAOYSA-N
MW379.55 g/mol
LogP2.34
Rot. Bonds10

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

N-[3-[butyl(ethyl)amino]propyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (PubChem CID 20906683) has the molecular formula C21H37N3O3 and a molecular weight of 379.55 g/mol. Its IUPAC name is N-[3-[butyl(ethyl)amino]propyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.

Molecular Properties

Compound NameN-[3-[butyl(ethyl)amino]propyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
PubChem CID20906683
Molecular FormulaC21H37N3O3
Molecular Weight379.55 g/mol
Exact Mass379.28
IUPAC NameN-[3-[butyl(ethyl)amino]propyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCCCCN(CC)CCCNC(=O)C1=C(C)C(=O)OC12CCN(CC)CC2
InChIInChI=1S/C21H37N3O3/c1-5-8-13-23(6-2)14-9-12-22-19(25)18-17(4)20(26)27-21(18)10-15-24(7-3)16-11-21/h5-16H2,1-4H3,(H,22,25)
InChIKeyBCKLKXILIYHQKE-UHFFFAOYSA-N
XLogP2.34
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[butyl(ethyl)amino]propyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The IUPAC name of N-[3-[butyl(ethyl)amino]propyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (CID 20906683) is N-[3-[butyl(ethyl)amino]propyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.
What is the SMILES notation for N-[3-[butyl(ethyl)amino]propyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The canonical SMILES for N-[3-[butyl(ethyl)amino]propyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is CCCCN(CC)CCCNC(=O)C1=C(C)C(=O)OC12CCN(CC)CC2.
What is the InChIKey of N-[3-[butyl(ethyl)amino]propyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The InChIKey is BCKLKXILIYHQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O3/c1-5-8-13-23(6-2)14-9-12-22-19(25)18-17(4)20(26)27-21(18)10-15-24(7-3)16-11-21/h5-16H2,1-4H3,(H,22,25).
What are the key properties of N-[3-[butyl(ethyl)amino]propyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
N-[3-[butyl(ethyl)amino]propyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide has a molecular weight of 379.55 g/mol, XLogP of 2.34, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[butyl(ethyl)amino]propyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is sourced from PubChem (CID 20906683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).