N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide

C18H22N4O6 — CID 8626992

IUPACN-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
SMILESCCCN1C(=O)C(=O)N(CC(=O)N(C)CC(=O)Nc2cccc(OC)c2)C1=O
InChIInChI=1S/C18H22N4O6/c1-4-8-21-16(25)17(26)22(18(21)27)11-15(24)20(2)10-14(23)19-12-6-5-7-13(9-12)28-3/h5-7,9H,4,8,10-11H2,1-3H3,(H,19,23)
InChIKeyDAFQKCRDMRBXFT-UHFFFAOYSA-N
MW390.40 g/mol
LogP0.29
Rot. Bonds8

About N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide

N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide (PubChem CID 8626992) has the molecular formula C18H22N4O6 and a molecular weight of 390.40 g/mol. Its IUPAC name is N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
PubChem CID8626992
Molecular FormulaC18H22N4O6
Molecular Weight390.40 g/mol
Exact Mass390.15
IUPAC NameN-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
SMILESCCCN1C(=O)C(=O)N(CC(=O)N(C)CC(=O)Nc2cccc(OC)c2)C1=O
InChIInChI=1S/C18H22N4O6/c1-4-8-21-16(25)17(26)22(18(21)27)11-15(24)20(2)10-14(23)19-12-6-5-7-13(9-12)28-3/h5-7,9H,4,8,10-11H2,1-3H3,(H,19,23)
InChIKeyDAFQKCRDMRBXFT-UHFFFAOYSA-N
XLogP0.29
TPSA116.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 9006710
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626879
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(9-oxoacridin-10-yl)acetamide
CID 31927837
methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 47129052
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 8576337
N-(3-methoxyphenyl)-2-[[2-(3-methoxyphenyl)sulfanylacetyl]-methylamino]acetamide
CID 35041592
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-methylimidazol-1-yl)acetamide
CID 37225028
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3,3-diphenylpropanamide
CID 2594494
2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9429102
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 39975440
N-(3-methoxyphenyl)-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide
CID 8682208
[2-(diethylamino)-2-oxoethyl]-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylazanium
CID 8692876

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide?
The IUPAC name of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide (CID 8626992) is N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide is CCCN1C(=O)C(=O)N(CC(=O)N(C)CC(=O)Nc2cccc(OC)c2)C1=O.
What is the InChIKey of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide?
The InChIKey is DAFQKCRDMRBXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O6/c1-4-8-21-16(25)17(26)22(18(21)27)11-15(24)20(2)10-14(23)19-12-6-5-7-13(9-12)28-3/h5-7,9H,4,8,10-11H2,1-3H3,(H,19,23).
What are the key properties of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide?
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide has a molecular weight of 390.40 g/mol, XLogP of 0.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 8626992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).