[2-(3,5-dicarbamoylanilino)-2-oxoethyl] 1-(3-chlorophenyl)cyclohexane-1-carboxylate

C23H24ClN3O5 — CID 30656999

IUPAC[2-(3,5-dicarbamoylanilino)-2-oxoethyl] 1-(3-chlorophenyl)cyclohexane-1-carboxylate
SMILESNC(=O)c1cc(NC(=O)COC(=O)C2(c3cccc(Cl)c3)CCCCC2)cc(C(N)=O)c1
InChIInChI=1S/C23H24ClN3O5/c24-17-6-4-5-16(12-17)23(7-2-1-3-8-23)22(31)32-13-19(28)27-18-10-14(20(25)29)9-15(11-18)21(26)30/h4-6,9-12H,1-3,7-8,13H2,(H2,25,29)(H2,26,30)(H,27,28)
InChIKeyVUTCZEGBSLRKFJ-UHFFFAOYSA-N
MW457.91 g/mol
LogP2.92
Rot. Bonds7

About [2-(3,5-dicarbamoylanilino)-2-oxoethyl] 1-(3-chlorophenyl)cyclohexane-1-carboxylate

[2-(3,5-dicarbamoylanilino)-2-oxoethyl] 1-(3-chlorophenyl)cyclohexane-1-carboxylate (PubChem CID 30656999) has the molecular formula C23H24ClN3O5 and a molecular weight of 457.91 g/mol. Its IUPAC name is [2-(3,5-dicarbamoylanilino)-2-oxoethyl] 1-(3-chlorophenyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Name[2-(3,5-dicarbamoylanilino)-2-oxoethyl] 1-(3-chlorophenyl)cyclohexane-1-carboxylate
PubChem CID30656999
Molecular FormulaC23H24ClN3O5
Molecular Weight457.91 g/mol
Exact Mass457.14
IUPAC Name[2-(3,5-dicarbamoylanilino)-2-oxoethyl] 1-(3-chlorophenyl)cyclohexane-1-carboxylate
SMILESNC(=O)c1cc(NC(=O)COC(=O)C2(c3cccc(Cl)c3)CCCCC2)cc(C(N)=O)c1
InChIInChI=1S/C23H24ClN3O5/c24-17-6-4-5-16(12-17)23(7-2-1-3-8-23)22(31)32-13-19(28)27-18-10-14(20(25)29)9-15(11-18)21(26)30/h4-6,9-12H,1-3,7-8,13H2,(H2,25,29)(H2,26,30)(H,27,28)
InChIKeyVUTCZEGBSLRKFJ-UHFFFAOYSA-N
XLogP2.92
TPSA141.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.91
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 5-[[2-[1-(3-fluorophenyl)cyclopentanecarbonyl]oxyacetyl]amino]benzene-1,3-dicarboxylate
CID 16526186
[2-(3-fluoroanilino)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 2387321
(2-amino-2-oxoethyl) 1-(3-chlorophenyl)cyclopropane-1-carboxylate
CID 51088811
(2-anilino-2-oxoethyl) 1-phenylcyclobutane-1-carboxylate
CID 27097179
[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl] 1-(3-chlorophenyl)cyclohexane-1-carboxylate
CID 46531351
[2-(2,6-dichloroanilino)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 16526239
[2-(3-acetamidoanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 8589110
[2-(4-chloroanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8588474
[2-(2-methyl-4-nitroanilino)-2-oxoethyl] 1-(3-chlorophenyl)cyclobutane-1-carboxylate
CID 55537512
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 8611135
[2-(4-chloroanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 2336023
3-[[1-(3-chlorophenyl)cyclopentanecarbonyl]amino]-4-methoxybenzamide
CID 55783455

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dicarbamoylanilino)-2-oxoethyl] 1-(3-chlorophenyl)cyclohexane-1-carboxylate?
The IUPAC name of [2-(3,5-dicarbamoylanilino)-2-oxoethyl] 1-(3-chlorophenyl)cyclohexane-1-carboxylate (CID 30656999) is [2-(3,5-dicarbamoylanilino)-2-oxoethyl] 1-(3-chlorophenyl)cyclohexane-1-carboxylate.
What is the SMILES notation for [2-(3,5-dicarbamoylanilino)-2-oxoethyl] 1-(3-chlorophenyl)cyclohexane-1-carboxylate?
The canonical SMILES for [2-(3,5-dicarbamoylanilino)-2-oxoethyl] 1-(3-chlorophenyl)cyclohexane-1-carboxylate is NC(=O)c1cc(NC(=O)COC(=O)C2(c3cccc(Cl)c3)CCCCC2)cc(C(N)=O)c1.
What is the InChIKey of [2-(3,5-dicarbamoylanilino)-2-oxoethyl] 1-(3-chlorophenyl)cyclohexane-1-carboxylate?
The InChIKey is VUTCZEGBSLRKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O5/c24-17-6-4-5-16(12-17)23(7-2-1-3-8-23)22(31)32-13-19(28)27-18-10-14(20(25)29)9-15(11-18)21(26)30/h4-6,9-12H,1-3,7-8,13H2,(H2,25,29)(H2,26,30)(H,27,28).
What are the key properties of [2-(3,5-dicarbamoylanilino)-2-oxoethyl] 1-(3-chlorophenyl)cyclohexane-1-carboxylate?
[2-(3,5-dicarbamoylanilino)-2-oxoethyl] 1-(3-chlorophenyl)cyclohexane-1-carboxylate has a molecular weight of 457.91 g/mol, XLogP of 2.92, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dicarbamoylanilino)-2-oxoethyl] 1-(3-chlorophenyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 30656999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).