ethyl 1-[[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylate

C19H25N3O4 — CID 55969090

IUPACethyl 1-[[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NC(=O)c2cccc(N3CCNC3=O)c2)CCCCC1
InChIInChI=1S/C19H25N3O4/c1-2-26-17(24)19(9-4-3-5-10-19)21-16(23)14-7-6-8-15(13-14)22-12-11-20-18(22)25/h6-8,13H,2-5,9-12H2,1H3,(H,20,25)(H,21,23)
InChIKeyWAUIGWKBTBEQOX-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.21
Rot. Bonds5

About ethyl 1-[[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylate

ethyl 1-[[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylate (PubChem CID 55969090) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is ethyl 1-[[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylate
PubChem CID55969090
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Nameethyl 1-[[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NC(=O)c2cccc(N3CCNC3=O)c2)CCCCC1
InChIInChI=1S/C19H25N3O4/c1-2-26-17(24)19(9-4-3-5-10-19)21-16(23)14-7-6-8-15(13-14)22-12-11-20-18(22)25/h6-8,13H,2-5,9-12H2,1H3,(H,20,25)(H,21,23)
InChIKeyWAUIGWKBTBEQOX-UHFFFAOYSA-N
XLogP2.21
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[[3-(4-methylpiperazin-1-yl)sulfonylbenzoyl]amino]cyclohexane-1-carboxylate
CID 55993738
ethyl 1-[[3-(dimethylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylate
CID 55969208
1-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]cycloheptane-1-carboxylic acid
CID 120539085
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 55838174
tert-butyl N-[2-[[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]ethyl]carbamate
CID 51095782
N-[3-(aminomethyl)pentan-3-yl]-3-(2-oxo-1,3-diazinan-1-yl)benzamide;hydrochloride
CID 119572144
2-[[3-(2-oxo-1,3-diazinan-1-yl)benzoyl]amino]acetic acid
CID 119350110
N-(1-carbamoylcyclohexyl)-3-(3,5-dimethylpyrazol-1-yl)benzamide
CID 72875646
N-(3-cyclopentylpropyl)-3-(2-oxoimidazolidin-1-yl)benzamide
CID 60504639
N-[2-(2,4-dimethoxyphenyl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 72940866
methyl 3-(4-fluorophenyl)-3-[[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoate
CID 55997635
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 55851280

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 1-[[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylate (CID 55969090) is ethyl 1-[[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 1-[[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 1-[[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylate is CCOC(=O)C1(NC(=O)c2cccc(N3CCNC3=O)c2)CCCCC1.
What is the InChIKey of ethyl 1-[[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylate?
The InChIKey is WAUIGWKBTBEQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-2-26-17(24)19(9-4-3-5-10-19)21-16(23)14-7-6-8-15(13-14)22-12-11-20-18(22)25/h6-8,13H,2-5,9-12H2,1H3,(H,20,25)(H,21,23).
What are the key properties of ethyl 1-[[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylate?
ethyl 1-[[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylate has a molecular weight of 359.43 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 55969090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).