1-[2-(4-ethoxyanilino)acetyl]imidazolidin-2-one

C13H17N3O3 — CID 134008026

IUPAC1-[2-(4-ethoxyanilino)acetyl]imidazolidin-2-one
SMILESCCOc1ccc(NCC(=O)N2CCNC2=O)cc1
InChIInChI=1S/C13H17N3O3/c1-2-19-11-5-3-10(4-6-11)15-9-12(17)16-8-7-14-13(16)18/h3-6,15H,2,7-9H2,1H3,(H,14,18)
InChIKeyHJZZOOBSZOCEBA-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.05
Rot. Bonds5

About 1-[2-(4-ethoxyanilino)acetyl]imidazolidin-2-one

1-[2-(4-ethoxyanilino)acetyl]imidazolidin-2-one (PubChem CID 134008026) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-[2-(4-ethoxyanilino)acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-ethoxyanilino)acetyl]imidazolidin-2-one
PubChem CID134008026
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-[2-(4-ethoxyanilino)acetyl]imidazolidin-2-one
SMILESCCOc1ccc(NCC(=O)N2CCNC2=O)cc1
InChIInChI=1S/C13H17N3O3/c1-2-19-11-5-3-10(4-6-11)15-9-12(17)16-8-7-14-13(16)18/h3-6,15H,2,7-9H2,1H3,(H,14,18)
InChIKeyHJZZOOBSZOCEBA-UHFFFAOYSA-N
XLogP1.05
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

propyl 4-[[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]benzoate
CID 24615008
N-methyl-2-[4-[[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]phenyl]acetamide
CID 37231270
1-[2-[4-(azepan-1-ylsulfonyl)anilino]acetyl]imidazolidin-2-one
CID 155945598
1-butanoylimidazolidin-2-one
CID 12771230
1-[2-(4-aminophenoxy)acetyl]imidazolidin-2-one
CID 54909200
1-[2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one
CID 7661135
2-chloro-N-(2-methylbutan-2-yl)-4-[[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]benzamide
CID 60539322
methyl 5-ethyl-2-[[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]benzoate
CID 47086638
(4-ethoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
CID 8695189
(E)-3-(4-ethoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide
CID 46525062
N-(6-methoxy-3-pyridinyl)-3-[[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]benzamide
CID 51130038
1-[2-[[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]amino]acetyl]imidazolidin-2-one
CID 55917833

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxyanilino)acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(4-ethoxyanilino)acetyl]imidazolidin-2-one (CID 134008026) is 1-[2-(4-ethoxyanilino)acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(4-ethoxyanilino)acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(4-ethoxyanilino)acetyl]imidazolidin-2-one is CCOc1ccc(NCC(=O)N2CCNC2=O)cc1.
What is the InChIKey of 1-[2-(4-ethoxyanilino)acetyl]imidazolidin-2-one?
The InChIKey is HJZZOOBSZOCEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-2-19-11-5-3-10(4-6-11)15-9-12(17)16-8-7-14-13(16)18/h3-6,15H,2,7-9H2,1H3,(H,14,18).
What are the key properties of 1-[2-(4-ethoxyanilino)acetyl]imidazolidin-2-one?
1-[2-(4-ethoxyanilino)acetyl]imidazolidin-2-one has a molecular weight of 263.30 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxyanilino)acetyl]imidazolidin-2-one is sourced from PubChem (CID 134008026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).