2-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-(furan-2-ylmethyl)acetamide

C17H22N4O5 — CID 34241212

IUPAC2-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CNC(=O)CN1C(=O)NC2(CCCCC2)C1=O)NCc1ccco1
InChIInChI=1S/C17H22N4O5/c22-13(18-9-12-5-4-8-26-12)10-19-14(23)11-21-15(24)17(20-16(21)25)6-2-1-3-7-17/h4-5,8H,1-3,6-7,9-11H2,(H,18,22)(H,19,23)(H,20,25)
InChIKeyHBRYEBRGRRVUFQ-UHFFFAOYSA-N
MW362.39 g/mol
LogP0.27
Rot. Bonds6

About 2-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-(furan-2-ylmethyl)acetamide

2-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-(furan-2-ylmethyl)acetamide (PubChem CID 34241212) has the molecular formula C17H22N4O5 and a molecular weight of 362.39 g/mol. Its IUPAC name is 2-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-(furan-2-ylmethyl)acetamide
PubChem CID34241212
Molecular FormulaC17H22N4O5
Molecular Weight362.39 g/mol
Exact Mass362.16
IUPAC Name2-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CNC(=O)CN1C(=O)NC2(CCCCC2)C1=O)NCc1ccco1
InChIInChI=1S/C17H22N4O5/c22-13(18-9-12-5-4-8-26-12)10-19-14(23)11-21-15(24)17(20-16(21)25)6-2-1-3-7-17/h4-5,8H,1-3,6-7,9-11H2,(H,18,22)(H,19,23)(H,20,25)
InChIKeyHBRYEBRGRRVUFQ-UHFFFAOYSA-N
XLogP0.27
TPSA120.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(furan-2-ylmethyl)acetamide
CID 2505076
2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(furan-2-ylmethyl)acetamide
CID 2702853
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430660
2-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 17034773
N-(furan-2-ylmethyl)-2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51138856
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 2705893
2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 4804760
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propylacetamide
CID 7610006
N-(furan-2-ylmethyl)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetamide
CID 30376287
N-(3,4-difluorophenyl)-2-[[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]amino]acetamide
CID 9401939
N-(furan-2-ylmethyl)-2-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]cyclopentyl]acetamide
CID 134025362
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 8949115

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-(furan-2-ylmethyl)acetamide (CID 34241212) is 2-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-(furan-2-ylmethyl)acetamide is O=C(CNC(=O)CN1C(=O)NC2(CCCCC2)C1=O)NCc1ccco1.
What is the InChIKey of 2-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is HBRYEBRGRRVUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O5/c22-13(18-9-12-5-4-8-26-12)10-19-14(23)11-21-15(24)17(20-16(21)25)6-2-1-3-7-17/h4-5,8H,1-3,6-7,9-11H2,(H,18,22)(H,19,23)(H,20,25).
What are the key properties of 2-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-(furan-2-ylmethyl)acetamide?
2-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 362.39 g/mol, XLogP of 0.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 34241212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).