N-[1-(2,4-dichlorophenyl)ethyl]-2-(2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl)acetamide

C16H17Cl2N3O4 — CID 167746953

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-2-(2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
SMILESCC(NC(=O)CN1C(=O)NC2(CCOC2)C1=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H17Cl2N3O4/c1-9(11-3-2-10(17)6-12(11)18)19-13(22)7-21-14(23)16(20-15(21)24)4-5-25-8-16/h2-3,6,9H,4-5,7-8H2,1H3,(H,19,22)(H,20,24)
InChIKeyWQFVARLLZRUDQH-UHFFFAOYSA-N
MW386.24 g/mol
LogP1.88
Rot. Bonds4

About N-[1-(2,4-dichlorophenyl)ethyl]-2-(2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl)acetamide

N-[1-(2,4-dichlorophenyl)ethyl]-2-(2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl)acetamide (PubChem CID 167746953) has the molecular formula C16H17Cl2N3O4 and a molecular weight of 386.24 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-2-(2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-2-(2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
PubChem CID167746953
Molecular FormulaC16H17Cl2N3O4
Molecular Weight386.24 g/mol
Exact Mass385.06
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-2-(2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
SMILESCC(NC(=O)CN1C(=O)NC2(CCOC2)C1=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H17Cl2N3O4/c1-9(11-3-2-10(17)6-12(11)18)19-13(22)7-21-14(23)16(20-15(21)24)4-5-25-8-16/h2-3,6,9H,4-5,7-8H2,1H3,(H,19,22)(H,20,24)
InChIKeyWQFVARLLZRUDQH-UHFFFAOYSA-N
XLogP1.88
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.24
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 4880191
N-[1-(2,4-dichlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 42978759
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2578366
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7265379
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 112764254
[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 92784952
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 7277395
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]acetamide
CID 11919459
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 7757106
N-[1-(2,4-dichlorophenyl)ethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 51175104
N-[1-(3-chlorophenyl)ethyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 4823434
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-piperidin-1-ylacetamide
CID 8894518

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-2-(2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-2-(2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl)acetamide (CID 167746953) is N-[1-(2,4-dichlorophenyl)ethyl]-2-(2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl)acetamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-2-(2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-2-(2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl)acetamide is CC(NC(=O)CN1C(=O)NC2(CCOC2)C1=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-2-(2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The InChIKey is WQFVARLLZRUDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O4/c1-9(11-3-2-10(17)6-12(11)18)19-13(22)7-21-14(23)16(20-15(21)24)4-5-25-8-16/h2-3,6,9H,4-5,7-8H2,1H3,(H,19,22)(H,20,24).
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-2-(2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
N-[1-(2,4-dichlorophenyl)ethyl]-2-(2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl)acetamide has a molecular weight of 386.24 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-2-(2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl)acetamide is sourced from PubChem (CID 167746953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).