7-hexanoyl-3-[3-(propanoylamino)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide

C22H30N4O4 — CID 73307419

IUPAC7-hexanoyl-3-[3-(propanoylamino)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide
SMILESCCCCCC(=O)N1CC2(CC(c3cccc(NC(=O)CC)c3)=NO2)CC1C(N)=O
InChIInChI=1S/C22H30N4O4/c1-3-5-6-10-20(28)26-14-22(13-18(26)21(23)29)12-17(25-30-22)15-8-7-9-16(11-15)24-19(27)4-2/h7-9,11,18H,3-6,10,12-14H2,1-2H3,(H2,23,29)(H,24,27)
InChIKeyBSGVIAOMGSBTHB-UHFFFAOYSA-N
MW414.51 g/mol
LogP2.56
Rot. Bonds8

About 7-hexanoyl-3-[3-(propanoylamino)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide

7-hexanoyl-3-[3-(propanoylamino)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide (PubChem CID 73307419) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is 7-hexanoyl-3-[3-(propanoylamino)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide.

Molecular Properties

Compound Name7-hexanoyl-3-[3-(propanoylamino)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide
PubChem CID73307419
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC Name7-hexanoyl-3-[3-(propanoylamino)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide
SMILESCCCCCC(=O)N1CC2(CC(c3cccc(NC(=O)CC)c3)=NO2)CC1C(N)=O
InChIInChI=1S/C22H30N4O4/c1-3-5-6-10-20(28)26-14-22(13-18(26)21(23)29)12-17(25-30-22)15-8-7-9-16(11-15)24-19(27)4-2/h7-9,11,18H,3-6,10,12-14H2,1-2H3,(H2,23,29)(H,24,27)
InChIKeyBSGVIAOMGSBTHB-UHFFFAOYSA-N
XLogP2.56
TPSA114.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-hexanoyl-3-[3-(propanoylamino)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-hexanoyl-3-[3-(propanoylamino)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide?
The IUPAC name of 7-hexanoyl-3-[3-(propanoylamino)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide (CID 73307419) is 7-hexanoyl-3-[3-(propanoylamino)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide.
What is the SMILES notation for 7-hexanoyl-3-[3-(propanoylamino)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide?
The canonical SMILES for 7-hexanoyl-3-[3-(propanoylamino)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide is CCCCCC(=O)N1CC2(CC(c3cccc(NC(=O)CC)c3)=NO2)CC1C(N)=O.
What is the InChIKey of 7-hexanoyl-3-[3-(propanoylamino)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide?
The InChIKey is BSGVIAOMGSBTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4/c1-3-5-6-10-20(28)26-14-22(13-18(26)21(23)29)12-17(25-30-22)15-8-7-9-16(11-15)24-19(27)4-2/h7-9,11,18H,3-6,10,12-14H2,1-2H3,(H2,23,29)(H,24,27).
What are the key properties of 7-hexanoyl-3-[3-(propanoylamino)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide?
7-hexanoyl-3-[3-(propanoylamino)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hexanoyl-3-[3-(propanoylamino)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide is sourced from PubChem (CID 73307419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).