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

C22H39N3O3 — CID 20906679

IUPACN-[2-(dibutylamino)ethyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCCCCN(CCCC)CCNC(=O)C1=C(C)C(=O)OC12CCN(CC)CC2
InChIInChI=1S/C22H39N3O3/c1-5-8-13-25(14-9-6-2)17-12-23-20(26)19-18(4)21(27)28-22(19)10-15-24(7-3)16-11-22/h5-17H2,1-4H3,(H,23,26)
InChIKeyPAYCPEWBBKDKJO-UHFFFAOYSA-N
MW393.57 g/mol
LogP2.73
Rot. Bonds11

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

N-[2-(dibutylamino)ethyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (PubChem CID 20906679) has the molecular formula C22H39N3O3 and a molecular weight of 393.57 g/mol. Its IUPAC name is N-[2-(dibutylamino)ethyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dibutylamino)ethyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
PubChem CID20906679
Molecular FormulaC22H39N3O3
Molecular Weight393.57 g/mol
Exact Mass393.30
IUPAC NameN-[2-(dibutylamino)ethyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCCCCN(CCCC)CCNC(=O)C1=C(C)C(=O)OC12CCN(CC)CC2
InChIInChI=1S/C22H39N3O3/c1-5-8-13-25(14-9-6-2)17-12-23-20(26)19-18(4)21(27)28-22(19)10-15-24(7-3)16-11-22/h5-17H2,1-4H3,(H,23,26)
InChIKeyPAYCPEWBBKDKJO-UHFFFAOYSA-N
XLogP2.73
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.57
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dibutylamino)ethyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The IUPAC name of N-[2-(dibutylamino)ethyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (CID 20906679) is N-[2-(dibutylamino)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-(dibutylamino)ethyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The canonical SMILES for N-[2-(dibutylamino)ethyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is CCCCN(CCCC)CCNC(=O)C1=C(C)C(=O)OC12CCN(CC)CC2.
What is the InChIKey of N-[2-(dibutylamino)ethyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The InChIKey is PAYCPEWBBKDKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N3O3/c1-5-8-13-25(14-9-6-2)17-12-23-20(26)19-18(4)21(27)28-22(19)10-15-24(7-3)16-11-22/h5-17H2,1-4H3,(H,23,26).
What are the key properties of N-[2-(dibutylamino)ethyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
N-[2-(dibutylamino)ethyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide has a molecular weight of 393.57 g/mol, XLogP of 2.73, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dibutylamino)ethyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is sourced from PubChem (CID 20906679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).