N-[2-(4-chlorophenoxy)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide

C18H22ClN3O4 — CID 17485630

IUPACN-[2-(4-chlorophenoxy)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C18H22ClN3O4/c1-21(10-11-26-14-6-4-13(19)5-7-14)15(23)12-22-16(24)18(20-17(22)25)8-2-3-9-18/h4-7H,2-3,8-12H2,1H3,(H,20,25)
InChIKeyDXFNPBZDNHNLNO-UHFFFAOYSA-N
MW379.84 g/mol
LogP2.04
Rot. Bonds6

About N-[2-(4-chlorophenoxy)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide

N-[2-(4-chlorophenoxy)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide (PubChem CID 17485630) has the molecular formula C18H22ClN3O4 and a molecular weight of 379.84 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide
PubChem CID17485630
Molecular FormulaC18H22ClN3O4
Molecular Weight379.84 g/mol
Exact Mass379.13
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C18H22ClN3O4/c1-21(10-11-26-14-6-4-13(19)5-7-14)15(23)12-22-16(24)18(20-17(22)25)8-2-3-9-18/h4-7H,2-3,8-12H2,1H3,(H,20,25)
InChIKeyDXFNPBZDNHNLNO-UHFFFAOYSA-N
XLogP2.04
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl] 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 55401368
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 92786204
3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2575624
3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 9460374
N-[2-(4-chlorophenoxy)ethyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 24520498
N-[2-(4-chlorophenoxy)ethyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylbutanamide
CID 47008586
N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 43035395
N-[2-(4-fluorophenoxy)ethyl]-2-[(4S)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 32762583
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N,N-dimethylacetamide
CID 9208145
[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 154771102
N-[2-(dimethylamino)-2-oxoethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-methylacetamide
CID 9362019
2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-chlorophenoxy)ethyl]-N-methylacetamide
CID 81172510

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide (CID 17485630) is N-[2-(4-chlorophenoxy)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide is CN(CCOc1ccc(Cl)cc1)C(=O)CN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide?
The InChIKey is DXFNPBZDNHNLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O4/c1-21(10-11-26-14-6-4-13(19)5-7-14)15(23)12-22-16(24)18(20-17(22)25)8-2-3-9-18/h4-7H,2-3,8-12H2,1H3,(H,20,25).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide?
N-[2-(4-chlorophenoxy)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide has a molecular weight of 379.84 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide is sourced from PubChem (CID 17485630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).