2-(8-butanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-prop-2-enylacetamide

C22H30N4O3 — CID 24717222

IUPAC2-(8-butanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)CCC)CC2)C1=O
InChIInChI=1S/C22H30N4O3/c1-3-8-20(28)24-14-11-22(12-15-24)21(29)25(16-19(27)23-13-4-2)17-26(22)18-9-6-5-7-10-18/h4-7,9-10H,2-3,8,11-17H2,1H3,(H,23,27)
InChIKeySIUDZZWHAFUXHR-UHFFFAOYSA-N
MW398.51 g/mol
LogP1.76
Rot. Bonds7

About 2-(8-butanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-prop-2-enylacetamide

2-(8-butanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-prop-2-enylacetamide (PubChem CID 24717222) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-(8-butanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(8-butanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-prop-2-enylacetamide
PubChem CID24717222
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name2-(8-butanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)CCC)CC2)C1=O
InChIInChI=1S/C22H30N4O3/c1-3-8-20(28)24-14-11-22(12-15-24)21(29)25(16-19(27)23-13-4-2)17-26(22)18-9-6-5-7-10-18/h4-7,9-10H,2-3,8,11-17H2,1H3,(H,23,27)
InChIKeySIUDZZWHAFUXHR-UHFFFAOYSA-N
XLogP1.76
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(8-butanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-butan-2-ylacetamide
CID 3666781
2-(8-butanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 3530304
2-[8-(4-butylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-prop-2-enylacetamide
CID 3908162
8-butanoyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 3411128
2-(8-decanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(2-phenylethyl)acetamide
CID 42770977
N-(4-fluorophenyl)-2-(8-octanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide
CID 4266289
N-(2-methylbutyl)-2-(8-octanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide
CID 3638117
2-(8-heptanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(2-methylbutyl)acetamide
CID 5220880
2-[4-oxo-1-phenyl-8-[3-(trifluoromethyl)benzoyl]-1,3,8-triazaspiro[4.5]decan-3-yl]-N-prop-2-enylacetamide
CID 4986448
N-(3-ethoxypropyl)-2-(8-hexanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide
CID 5131044
2-[8-(cyclopropanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-ethylacetamide
CID 5001522
N-(3-ethoxypropyl)-2-(8-nonanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide
CID 42773681

Frequently Asked Questions

What is the IUPAC name of 2-(8-butanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(8-butanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-prop-2-enylacetamide (CID 24717222) is 2-(8-butanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(8-butanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(8-butanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-prop-2-enylacetamide is C=CCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)CCC)CC2)C1=O.
What is the InChIKey of 2-(8-butanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-prop-2-enylacetamide?
The InChIKey is SIUDZZWHAFUXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-3-8-20(28)24-14-11-22(12-15-24)21(29)25(16-19(27)23-13-4-2)17-26(22)18-9-6-5-7-10-18/h4-7,9-10H,2-3,8,11-17H2,1H3,(H,23,27).
What are the key properties of 2-(8-butanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-prop-2-enylacetamide?
2-(8-butanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-prop-2-enylacetamide has a molecular weight of 398.51 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-butanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-prop-2-enylacetamide is sourced from PubChem (CID 24717222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).