(4-methoxy-2-nitrophenyl) 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate

C19H23N3O7 — CID 55340769

IUPAC(4-methoxy-2-nitrophenyl) 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)Oc1ccc(OC)cc1[N+](=O)[O-])C2=O
InChIInChI=1S/C19H23N3O7/c1-3-12-6-8-19(9-7-12)17(24)21(18(25)20-19)11-16(23)29-15-5-4-13(28-2)10-14(15)22(26)27/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,20,25)
InChIKeyXDYJNBDIYFQIBA-UHFFFAOYSA-N
MW405.41 g/mol
LogP2.40
Rot. Bonds6

About (4-methoxy-2-nitrophenyl) 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate

(4-methoxy-2-nitrophenyl) 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate (PubChem CID 55340769) has the molecular formula C19H23N3O7 and a molecular weight of 405.41 g/mol. Its IUPAC name is (4-methoxy-2-nitrophenyl) 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate.

Molecular Properties

Compound Name(4-methoxy-2-nitrophenyl) 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
PubChem CID55340769
Molecular FormulaC19H23N3O7
Molecular Weight405.41 g/mol
Exact Mass405.15
IUPAC Name(4-methoxy-2-nitrophenyl) 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)Oc1ccc(OC)cc1[N+](=O)[O-])C2=O
InChIInChI=1S/C19H23N3O7/c1-3-12-6-8-19(9-7-12)17(24)21(18(25)20-19)11-16(23)29-15-5-4-13(28-2)10-14(15)22(26)27/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,20,25)
InChIKeyXDYJNBDIYFQIBA-UHFFFAOYSA-N
XLogP2.40
TPSA128.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-methoxy-2-nitrophenyl) 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 55340595
3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17470835
(4-methoxy-2-nitrophenyl) propanoate
CID 58225888
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 55311750
propan-2-yl 3-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-3-(2-nitrophenyl)propanoate
CID 55454563
3-(3,3-dimethyl-2-oxobutyl)-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7180920
1-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carboxamide
CID 9474385
N,N-diethyl-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7180872
[1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate
CID 55444076
(3-methyl-4-nitrophenyl) 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 55371785
2-(4-ethoxyphenoxy)-N'-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]propanehydrazide
CID 55344117
dimethyl 5-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]benzene-1,3-dicarboxylate
CID 2443504

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2-nitrophenyl) 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The IUPAC name of (4-methoxy-2-nitrophenyl) 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate (CID 55340769) is (4-methoxy-2-nitrophenyl) 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate.
What is the SMILES notation for (4-methoxy-2-nitrophenyl) 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The canonical SMILES for (4-methoxy-2-nitrophenyl) 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate is CCC1CCC2(CC1)NC(=O)N(CC(=O)Oc1ccc(OC)cc1[N+](=O)[O-])C2=O.
What is the InChIKey of (4-methoxy-2-nitrophenyl) 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The InChIKey is XDYJNBDIYFQIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O7/c1-3-12-6-8-19(9-7-12)17(24)21(18(25)20-19)11-16(23)29-15-5-4-13(28-2)10-14(15)22(26)27/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,20,25).
What are the key properties of (4-methoxy-2-nitrophenyl) 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
(4-methoxy-2-nitrophenyl) 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate has a molecular weight of 405.41 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-nitrophenyl) 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate is sourced from PubChem (CID 55340769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).