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

C18H23N3O7 — CID 8627196

IUPACN-[(2,4,5-trimethoxyphenyl)methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
SMILESCCCN1C(=O)C(=O)N(CC(=O)NCc2cc(OC)c(OC)cc2OC)C1=O
InChIInChI=1S/C18H23N3O7/c1-5-6-20-16(23)17(24)21(18(20)25)10-15(22)19-9-11-7-13(27-3)14(28-4)8-12(11)26-2/h7-8H,5-6,9-10H2,1-4H3,(H,19,22)
InChIKeyJIXQPJFXMVYHSJ-UHFFFAOYSA-N
MW393.40 g/mol
LogP0.53
Rot. Bonds9

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

N-[(2,4,5-trimethoxyphenyl)methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide (PubChem CID 8627196) has the molecular formula C18H23N3O7 and a molecular weight of 393.40 g/mol. Its IUPAC name is N-[(2,4,5-trimethoxyphenyl)methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2,4,5-trimethoxyphenyl)methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
PubChem CID8627196
Molecular FormulaC18H23N3O7
Molecular Weight393.40 g/mol
Exact Mass393.15
IUPAC NameN-[(2,4,5-trimethoxyphenyl)methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
SMILESCCCN1C(=O)C(=O)N(CC(=O)NCc2cc(OC)c(OC)cc2OC)C1=O
InChIInChI=1S/C18H23N3O7/c1-5-6-20-16(23)17(24)21(18(20)25)10-15(22)19-9-11-7-13(27-3)14(28-4)8-12(11)26-2/h7-8H,5-6,9-10H2,1-4H3,(H,19,22)
InChIKeyJIXQPJFXMVYHSJ-UHFFFAOYSA-N
XLogP0.53
TPSA114.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-butyl-1,3-dioxo-N-[(2,4,5-trimethoxyphenyl)methyl]isoindole-5-carboxamide
CID 27863996
N-(thiophen-2-ylmethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626377
2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 60672524
N-prop-2-ynyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 9379902
2-(dipropylamino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 34600439
1-[(4-bromo-2,5-dimethoxyphenyl)methyl]-3-propylimidazolidine-2,4,5-trione
CID 8626674
2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 46606442
2-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 36795698
2-(4-methylpiperidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 8558421
3-bromo-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 113385120
[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
CID 55398022
4-oxo-3-propyl-N-[(2,4,5-trimethoxyphenyl)methyl]phthalazine-1-carboxamide
CID 27843459

Frequently Asked Questions

What is the IUPAC name of N-[(2,4,5-trimethoxyphenyl)methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide?
The IUPAC name of N-[(2,4,5-trimethoxyphenyl)methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide (CID 8627196) is N-[(2,4,5-trimethoxyphenyl)methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[(2,4,5-trimethoxyphenyl)methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[(2,4,5-trimethoxyphenyl)methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide is CCCN1C(=O)C(=O)N(CC(=O)NCc2cc(OC)c(OC)cc2OC)C1=O.
What is the InChIKey of N-[(2,4,5-trimethoxyphenyl)methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide?
The InChIKey is JIXQPJFXMVYHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O7/c1-5-6-20-16(23)17(24)21(18(20)25)10-15(22)19-9-11-7-13(27-3)14(28-4)8-12(11)26-2/h7-8H,5-6,9-10H2,1-4H3,(H,19,22).
What are the key properties of N-[(2,4,5-trimethoxyphenyl)methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide?
N-[(2,4,5-trimethoxyphenyl)methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide has a molecular weight of 393.40 g/mol, XLogP of 0.53, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4,5-trimethoxyphenyl)methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 8627196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).