[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-acetamidobenzoate

C18H23N3O5 — CID 2546156

IUPAC[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(C(=O)OCC(=O)NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C18H23N3O5/c1-12(22)19-15-9-7-13(8-10-15)17(24)26-11-16(23)21-18(25)20-14-5-3-2-4-6-14/h7-10,14H,2-6,11H2,1H3,(H,19,22)(H2,20,21,23,25)
InChIKeyCRHAGOYFYJXGMT-UHFFFAOYSA-N
MW361.40 g/mol
LogP1.96
Rot. Bonds5

About [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-acetamidobenzoate

[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-acetamidobenzoate (PubChem CID 2546156) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-acetamidobenzoate.

Molecular Properties

Compound Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-acetamidobenzoate
PubChem CID2546156
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(C(=O)OCC(=O)NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C18H23N3O5/c1-12(22)19-15-9-7-13(8-10-15)17(24)26-11-16(23)21-18(25)20-14-5-3-2-4-6-14/h7-10,14H,2-6,11H2,1H3,(H,19,22)(H2,20,21,23,25)
InChIKeyCRHAGOYFYJXGMT-UHFFFAOYSA-N
XLogP1.96
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Tetracaine
CID 5411
Tetracaine Hydrochloride
CID 8695
Ethyl 4-((2-(1-piperidinyl)acetyl)amino)benzoate
CID 3300
Ethyl 4-(benzoylamino)benzoate
CID 12914
2-Diethylaminoethyl 4-butylaminobenzoate hydrochloride
CID 27891
Methyl 4-((((((2R,5S)-5-(((2S)-2-(aminomethyl)pyrrolidin-1-YL)carbonyl)pyrrolidin-2-YL)methyl)amino)carbonyl)amino)benzoate
CID 11840913
Ethyl 4-(3-benzoylthioureido)benzoate
CID 708478
P-(butylamino)benzoic acid-2-(diethylamino)ethyl ester
CID 4651
Ethyl 4-(4-(dimethylamino)benzylamino)benzoate
CID 3243284
Ethyl 4-(butylamino)benzoate
CID 66746
Butyl 4-acetamidobenzoate
CID 2298826
Benzoic acid, 4-(dimethylamino)-, 1,1'-((methylimino)di-2,1-ethanediyl) ester
CID 59593952

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-acetamidobenzoate?
The IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-acetamidobenzoate (CID 2546156) is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-acetamidobenzoate.
What is the SMILES notation for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-acetamidobenzoate?
The canonical SMILES for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-acetamidobenzoate is CC(=O)Nc1ccc(C(=O)OCC(=O)NC(=O)NC2CCCCC2)cc1.
What is the InChIKey of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-acetamidobenzoate?
The InChIKey is CRHAGOYFYJXGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-12(22)19-15-9-7-13(8-10-15)17(24)26-11-16(23)21-18(25)20-14-5-3-2-4-6-14/h7-10,14H,2-6,11H2,1H3,(H,19,22)(H2,20,21,23,25).
What are the key properties of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-acetamidobenzoate?
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-acetamidobenzoate has a molecular weight of 361.40 g/mol, XLogP of 1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-acetamidobenzoate is sourced from PubChem (CID 2546156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).