N-[2-(4-methoxyphenyl)ethyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide

C18H23N3O5 — CID 2574699

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccc(CCNC(=O)CN2C(=O)C(=O)N(CC(C)C)C2=O)cc1
InChIInChI=1S/C18H23N3O5/c1-12(2)10-20-16(23)17(24)21(18(20)25)11-15(22)19-9-8-13-4-6-14(26-3)7-5-13/h4-7,12H,8-11H2,1-3H3,(H,19,22)
InChIKeyHMVOVUYOJGDAJP-UHFFFAOYSA-N
MW361.40 g/mol
LogP0.80
Rot. Bonds8

About N-[2-(4-methoxyphenyl)ethyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide

N-[2-(4-methoxyphenyl)ethyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide (PubChem CID 2574699) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
PubChem CID2574699
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccc(CCNC(=O)CN2C(=O)C(=O)N(CC(C)C)C2=O)cc1
InChIInChI=1S/C18H23N3O5/c1-12(2)10-20-16(23)17(24)21(18(20)25)11-15(22)19-9-8-13-4-6-14(26-3)7-5-13/h4-7,12H,8-11H2,1-3H3,(H,19,22)
InChIKeyHMVOVUYOJGDAJP-UHFFFAOYSA-N
XLogP0.80
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide (CID 2574699) is N-[2-(4-methoxyphenyl)ethyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide is COc1ccc(CCNC(=O)CN2C(=O)C(=O)N(CC(C)C)C2=O)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The InChIKey is HMVOVUYOJGDAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-12(2)10-20-16(23)17(24)21(18(20)25)11-15(22)19-9-8-13-4-6-14(26-3)7-5-13/h4-7,12H,8-11H2,1-3H3,(H,19,22).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
N-[2-(4-methoxyphenyl)ethyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide has a molecular weight of 361.40 g/mol, XLogP of 0.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 2574699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).