2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-ethoxypropyl)acetamide

C17H24ClN3O3 — CID 20851421

IUPAC2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)CN1CCN(Cc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C17H24ClN3O3/c1-2-24-11-3-8-19-16(22)13-21-10-9-20(17(21)23)12-14-4-6-15(18)7-5-14/h4-7H,2-3,8-13H2,1H3,(H,19,22)
InChIKeyHHUVCCKPRCOMJW-UHFFFAOYSA-N
MW353.85 g/mol
LogP2.12
Rot. Bonds9

About 2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-ethoxypropyl)acetamide

2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-ethoxypropyl)acetamide (PubChem CID 20851421) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is 2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-ethoxypropyl)acetamide.

Molecular Properties

Compound Name2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-ethoxypropyl)acetamide
PubChem CID20851421
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC Name2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)CN1CCN(Cc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C17H24ClN3O3/c1-2-24-11-3-8-19-16(22)13-21-10-9-20(17(21)23)12-14-4-6-15(18)7-5-14/h4-7H,2-3,8-13H2,1H3,(H,19,22)
InChIKeyHHUVCCKPRCOMJW-UHFFFAOYSA-N
XLogP2.12
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-ethoxypropyl)acetamide?
The IUPAC name of 2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-ethoxypropyl)acetamide (CID 20851421) is 2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-ethoxypropyl)acetamide.
What is the SMILES notation for 2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-ethoxypropyl)acetamide?
The canonical SMILES for 2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-ethoxypropyl)acetamide is CCOCCCNC(=O)CN1CCN(Cc2ccc(Cl)cc2)C1=O.
What is the InChIKey of 2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-ethoxypropyl)acetamide?
The InChIKey is HHUVCCKPRCOMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O3/c1-2-24-11-3-8-19-16(22)13-21-10-9-20(17(21)23)12-14-4-6-15(18)7-5-14/h4-7H,2-3,8-13H2,1H3,(H,19,22).
What are the key properties of 2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-ethoxypropyl)acetamide?
2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-ethoxypropyl)acetamide has a molecular weight of 353.85 g/mol, XLogP of 2.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-ethoxypropyl)acetamide is sourced from PubChem (CID 20851421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).