methyl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]amino]benzoate

C19H23N3O5 — CID 7240794

IUPACmethyl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1
InChIInChI=1S/C19H23N3O5/c1-27-16(24)13-6-8-14(9-7-13)20-15(23)12-22-17(25)19(21-18(22)26)10-4-2-3-5-11-19/h6-9H,2-5,10-12H2,1H3,(H,20,23)(H,21,26)
InChIKeyNYEGKHADVUNGIV-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.06
Rot. Bonds4

About methyl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]amino]benzoate

methyl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]amino]benzoate (PubChem CID 7240794) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is methyl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]amino]benzoate
PubChem CID7240794
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Namemethyl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1
InChIInChI=1S/C19H23N3O5/c1-27-16(24)13-6-8-14(9-7-13)20-15(23)12-22-17(25)19(21-18(22)26)10-4-2-3-5-11-19/h6-9H,2-5,10-12H2,1H3,(H,20,23)(H,21,26)
InChIKeyNYEGKHADVUNGIV-UHFFFAOYSA-N
XLogP2.06
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]oxyacetyl]amino]benzoate
CID 7822094
propan-2-yl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]benzoate
CID 7277193
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-methylphenyl)acetamide
CID 2701811
N-(4-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2622697
N-(4-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 4791328
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methylphenyl)acetamide
CID 2377118
4-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide
CID 55888176
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methoxyphenyl)acetamide
CID 2708830
N-(4-tert-butylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 2438146
methyl 4-[[2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]benzoate
CID 7639907
N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 2701850
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-iodophenyl)acetamide
CID 2701826

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]amino]benzoate (CID 7240794) is methyl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1.
What is the InChIKey of methyl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]amino]benzoate?
The InChIKey is NYEGKHADVUNGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-27-16(24)13-6-8-14(9-7-13)20-15(23)12-22-17(25)19(21-18(22)26)10-4-2-3-5-11-19/h6-9H,2-5,10-12H2,1H3,(H,20,23)(H,21,26).
What are the key properties of methyl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]amino]benzoate?
methyl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]amino]benzoate has a molecular weight of 373.41 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]amino]benzoate is sourced from PubChem (CID 7240794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).