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

C23H41N3O3 — CID 20906677

IUPACN-[3-(dibutylamino)propyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCCCCN(CCCC)CCCNC(=O)C1=C(C)C(=O)OC12CCN(CC)CC2
InChIInChI=1S/C23H41N3O3/c1-5-8-14-26(15-9-6-2)16-10-13-24-21(27)20-19(4)22(28)29-23(20)11-17-25(7-3)18-12-23/h5-18H2,1-4H3,(H,24,27)
InChIKeyJJKXAYDDFRVWPY-UHFFFAOYSA-N
MW407.60 g/mol
LogP3.12
Rot. Bonds12

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

N-[3-(dibutylamino)propyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (PubChem CID 20906677) has the molecular formula C23H41N3O3 and a molecular weight of 407.60 g/mol. Its IUPAC name is N-[3-(dibutylamino)propyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dibutylamino)propyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
PubChem CID20906677
Molecular FormulaC23H41N3O3
Molecular Weight407.60 g/mol
Exact Mass407.31
IUPAC NameN-[3-(dibutylamino)propyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCCCCN(CCCC)CCCNC(=O)C1=C(C)C(=O)OC12CCN(CC)CC2
InChIInChI=1S/C23H41N3O3/c1-5-8-14-26(15-9-6-2)16-10-13-24-21(27)20-19(4)22(28)29-23(20)11-17-25(7-3)18-12-23/h5-18H2,1-4H3,(H,24,27)
InChIKeyJJKXAYDDFRVWPY-UHFFFAOYSA-N
XLogP3.12
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.60
LogP ≤ 53.12
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-(dibutylamino)propyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The IUPAC name of N-[3-(dibutylamino)propyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (CID 20906677) is N-[3-(dibutylamino)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-(dibutylamino)propyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The canonical SMILES for N-[3-(dibutylamino)propyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is CCCCN(CCCC)CCCNC(=O)C1=C(C)C(=O)OC12CCN(CC)CC2.
What is the InChIKey of N-[3-(dibutylamino)propyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The InChIKey is JJKXAYDDFRVWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41N3O3/c1-5-8-14-26(15-9-6-2)16-10-13-24-21(27)20-19(4)22(28)29-23(20)11-17-25(7-3)18-12-23/h5-18H2,1-4H3,(H,24,27).
What are the key properties of N-[3-(dibutylamino)propyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
N-[3-(dibutylamino)propyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide has a molecular weight of 407.60 g/mol, XLogP of 3.12, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dibutylamino)propyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is sourced from PubChem (CID 20906677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).