N-[2-[2-[(2S)-2-acetamido-4-methylpent-4-enoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide

C23H32N4O5 — CID 74226717

IUPACN-[2-[2-[(2S)-2-acetamido-4-methylpent-4-enoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide
SMILESC=C(C)C[C@H](NC(C)=O)C(=O)N1CCC2(CCN(C(=O)CNC(=O)c3ccco3)CC2)C1
InChIInChI=1S/C23H32N4O5/c1-16(2)13-18(25-17(3)28)22(31)27-11-8-23(15-27)6-9-26(10-7-23)20(29)14-24-21(30)19-5-4-12-32-19/h4-5,12,18H,1,6-11,13-15H2,2-3H3,(H,24,30)(H,25,28)/t18-/m0/s1
InChIKeyXBJFILTUROHTBV-SFHVURJKSA-N
MW444.53 g/mol
LogP1.32
Rot. Bonds7

About N-[2-[2-[(2S)-2-acetamido-4-methylpent-4-enoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide

N-[2-[2-[(2S)-2-acetamido-4-methylpent-4-enoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide (PubChem CID 74226717) has the molecular formula C23H32N4O5 and a molecular weight of 444.53 g/mol. Its IUPAC name is N-[2-[2-[(2S)-2-acetamido-4-methylpent-4-enoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[(2S)-2-acetamido-4-methylpent-4-enoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide
PubChem CID74226717
Molecular FormulaC23H32N4O5
Molecular Weight444.53 g/mol
Exact Mass444.24
IUPAC NameN-[2-[2-[(2S)-2-acetamido-4-methylpent-4-enoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide
SMILESC=C(C)C[C@H](NC(C)=O)C(=O)N1CCC2(CCN(C(=O)CNC(=O)c3ccco3)CC2)C1
InChIInChI=1S/C23H32N4O5/c1-16(2)13-18(25-17(3)28)22(31)27-11-8-23(15-27)6-9-26(10-7-23)20(29)14-24-21(30)19-5-4-12-32-19/h4-5,12,18H,1,6-11,13-15H2,2-3H3,(H,24,30)(H,25,28)/t18-/m0/s1
InChIKeyXBJFILTUROHTBV-SFHVURJKSA-N
XLogP1.32
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[2-[(2S)-2-acetamido-4-methylpent-4-enoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[2-[2-[2-(4-chlorophenyl)propanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide
CID 4665105
methyl (2S)-2-benzamido-4-[8-[2-(furan-2-carbonylamino)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-4-oxobutanoate
CID 74228666
N-[2-oxo-2-[2-[(1R,2R)-2-phenylcyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-8-yl]ethyl]furan-2-carboxamide
CID 74225192
N-[2-[2-(cyclohexylcarbamothioyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide
CID 3800347
N-[2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide
CID 3741573
N-[4-methyl-1-[8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-1-oxopent-4-en-2-yl]acetamide
CID 3784698
N-[2-[2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide
CID 3436863
N-[(2S)-1-[8-(7-methoxy-1-benzofuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-4-methyl-1-oxopent-4-en-2-yl]acetamide
CID 74228605
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 6461144
N-[2-oxo-2-[2-[2-(3-oxo-1H-2-benzofuran-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-8-yl]ethyl]furan-2-carboxamide
CID 3366695
N-[2-[2-(1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide
CID 5102434
N-[(2S)-1-[8-(2,5-dimethylphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-2-yl]-4-methyl-1-oxopent-4-en-2-yl]acetamide
CID 74226107

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(2S)-2-acetamido-4-methylpent-4-enoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[2-[(2S)-2-acetamido-4-methylpent-4-enoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide (CID 74226717) is N-[2-[2-[(2S)-2-acetamido-4-methylpent-4-enoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[2-[(2S)-2-acetamido-4-methylpent-4-enoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[2-[(2S)-2-acetamido-4-methylpent-4-enoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide is C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC2(CCN(C(=O)CNC(=O)c3ccco3)CC2)C1.
What is the InChIKey of N-[2-[2-[(2S)-2-acetamido-4-methylpent-4-enoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is XBJFILTUROHTBV-SFHVURJKSA-N. The full InChI is InChI=1S/C23H32N4O5/c1-16(2)13-18(25-17(3)28)22(31)27-11-8-23(15-27)6-9-26(10-7-23)20(29)14-24-21(30)19-5-4-12-32-19/h4-5,12,18H,1,6-11,13-15H2,2-3H3,(H,24,30)(H,25,28)/t18-/m0/s1.
What are the key properties of N-[2-[2-[(2S)-2-acetamido-4-methylpent-4-enoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide?
N-[2-[2-[(2S)-2-acetamido-4-methylpent-4-enoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 444.53 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(2S)-2-acetamido-4-methylpent-4-enoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 74226717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).