ethyl 2-[[2-(cyclohexylcarbamoylamino)acetyl]amino]benzoate

C18H25N3O4 — CID 113001757

IUPACethyl 2-[[2-(cyclohexylcarbamoylamino)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CNC(=O)NC1CCCCC1
InChIInChI=1S/C18H25N3O4/c1-2-25-17(23)14-10-6-7-11-15(14)21-16(22)12-19-18(24)20-13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,21,22)(H2,19,20,24)
InChIKeyGEZHADZHSXFBFD-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.43
Rot. Bonds6

About ethyl 2-[[2-(cyclohexylcarbamoylamino)acetyl]amino]benzoate

ethyl 2-[[2-(cyclohexylcarbamoylamino)acetyl]amino]benzoate (PubChem CID 113001757) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is ethyl 2-[[2-(cyclohexylcarbamoylamino)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(cyclohexylcarbamoylamino)acetyl]amino]benzoate
PubChem CID113001757
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Nameethyl 2-[[2-(cyclohexylcarbamoylamino)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CNC(=O)NC1CCCCC1
InChIInChI=1S/C18H25N3O4/c1-2-25-17(23)14-10-6-7-11-15(14)21-16(22)12-19-18(24)20-13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,21,22)(H2,19,20,24)
InChIKeyGEZHADZHSXFBFD-UHFFFAOYSA-N
XLogP2.43
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 108990696
ethyl 2-(cyclopentylcarbamoylamino)benzoate
CID 110755189
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CID 112999833
2-(cyclohexylcarbamoylamino)-N-(2-ethoxyphenyl)acetamide
CID 112998805
propyl 2-(cyclohexylcarbamoylamino)benzoate
CID 122389649
2-(cyclohexylcarbamoylamino)-N-(2,3-dimethylphenyl)acetamide
CID 51179268
methyl 2-[[3-(cyclohexylamino)-3-oxopropanoyl]amino]benzoate
CID 108942633
ethyl 2-[[2-(2-cyclohexylacetyl)oxyacetyl]amino]benzoate
CID 24686043
ethyl 2-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)benzoate
CID 3679782
ethyl 3-(cyclooctylcarbamothioylamino)-2-methylbenzoate
CID 100663642
ethyl 2-(propanoylamino)benzoate
CID 4190428
ethyl 2-[[2-[(4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-2-yl]acetyl]amino]benzoate
CID 11940744

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(cyclohexylcarbamoylamino)acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(cyclohexylcarbamoylamino)acetyl]amino]benzoate (CID 113001757) is ethyl 2-[[2-(cyclohexylcarbamoylamino)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(cyclohexylcarbamoylamino)acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(cyclohexylcarbamoylamino)acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)CNC(=O)NC1CCCCC1.
What is the InChIKey of ethyl 2-[[2-(cyclohexylcarbamoylamino)acetyl]amino]benzoate?
The InChIKey is GEZHADZHSXFBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-2-25-17(23)14-10-6-7-11-15(14)21-16(22)12-19-18(24)20-13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,21,22)(H2,19,20,24).
What are the key properties of ethyl 2-[[2-(cyclohexylcarbamoylamino)acetyl]amino]benzoate?
ethyl 2-[[2-(cyclohexylcarbamoylamino)acetyl]amino]benzoate has a molecular weight of 347.42 g/mol, XLogP of 2.43, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(cyclohexylcarbamoylamino)acetyl]amino]benzoate is sourced from PubChem (CID 113001757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).