3-O-[4-(ethylcarbamoylamino)cyclohexyl] 1-O-methyl benzene-1,3-dicarboxylate

C18H24N2O5 — CID 47592468

IUPAC3-O-[4-(ethylcarbamoylamino)cyclohexyl] 1-O-methyl benzene-1,3-dicarboxylate
SMILESCCNC(=O)NC1CCC(OC(=O)c2cccc(C(=O)OC)c2)CC1
InChIInChI=1S/C18H24N2O5/c1-3-19-18(23)20-14-7-9-15(10-8-14)25-17(22)13-6-4-5-12(11-13)16(21)24-2/h4-6,11,14-15H,3,7-10H2,1-2H3,(H2,19,20,23)
InChIKeySSOGLBYJBZAHEE-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.26
Rot. Bonds5

About 3-O-[4-(ethylcarbamoylamino)cyclohexyl] 1-O-methyl benzene-1,3-dicarboxylate

3-O-[4-(ethylcarbamoylamino)cyclohexyl] 1-O-methyl benzene-1,3-dicarboxylate (PubChem CID 47592468) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 3-O-[4-(ethylcarbamoylamino)cyclohexyl] 1-O-methyl benzene-1,3-dicarboxylate.

Molecular Properties

Compound Name3-O-[4-(ethylcarbamoylamino)cyclohexyl] 1-O-methyl benzene-1,3-dicarboxylate
PubChem CID47592468
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name3-O-[4-(ethylcarbamoylamino)cyclohexyl] 1-O-methyl benzene-1,3-dicarboxylate
SMILESCCNC(=O)NC1CCC(OC(=O)c2cccc(C(=O)OC)c2)CC1
InChIInChI=1S/C18H24N2O5/c1-3-19-18(23)20-14-7-9-15(10-8-14)25-17(22)13-6-4-5-12(11-13)16(21)24-2/h4-6,11,14-15H,3,7-10H2,1-2H3,(H2,19,20,23)
InChIKeySSOGLBYJBZAHEE-UHFFFAOYSA-N
XLogP2.26
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(ethylcarbamoylamino)cyclohexyl] 2,4-difluorobenzoate
CID 47592201
bis(4-aminocyclohexyl) benzene-1,3-dicarboxylate;propane
CID 67914272
[4-(ethylcarbamoylamino)cyclohexyl] 2-methoxy-5-nitrobenzoate
CID 47592628
[4-(ethylcarbamoylamino)cyclohexyl] 3-(3-fluorophenyl)propanoate
CID 86842992
[4-(ethylcarbamoylamino)cyclohexyl] (E)-3-(3-cyanophenyl)prop-2-enoate
CID 60584507
[4-(ethylcarbamoylamino)cyclohexyl] (Z)-2-methylbut-2-enoate
CID 97416620
1-ethyl-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633499
[4-(ethylcarbamoylamino)cyclohexyl] (E)-3-(3-nitrophenyl)prop-2-enoate
CID 47592170
[4-(ethylcarbamoylamino)cyclohexyl] 1-tert-butyl-3-cyclopropylpyrazole-5-carboxylate
CID 47591585
methyl 3-[[3-(cyclopropylcarbamoyl)benzoyl]amino]benzoate
CID 109050811
3-O-(4-tert-butylcyclohexyl) 1-O-ethyl benzene-1,3-dicarboxylate
CID 91732085
CID 70265363
CID 70265363

Frequently Asked Questions

What is the IUPAC name of 3-O-[4-(ethylcarbamoylamino)cyclohexyl] 1-O-methyl benzene-1,3-dicarboxylate?
The IUPAC name of 3-O-[4-(ethylcarbamoylamino)cyclohexyl] 1-O-methyl benzene-1,3-dicarboxylate (CID 47592468) is 3-O-[4-(ethylcarbamoylamino)cyclohexyl] 1-O-methyl benzene-1,3-dicarboxylate.
What is the SMILES notation for 3-O-[4-(ethylcarbamoylamino)cyclohexyl] 1-O-methyl benzene-1,3-dicarboxylate?
The canonical SMILES for 3-O-[4-(ethylcarbamoylamino)cyclohexyl] 1-O-methyl benzene-1,3-dicarboxylate is CCNC(=O)NC1CCC(OC(=O)c2cccc(C(=O)OC)c2)CC1.
What is the InChIKey of 3-O-[4-(ethylcarbamoylamino)cyclohexyl] 1-O-methyl benzene-1,3-dicarboxylate?
The InChIKey is SSOGLBYJBZAHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-3-19-18(23)20-14-7-9-15(10-8-14)25-17(22)13-6-4-5-12(11-13)16(21)24-2/h4-6,11,14-15H,3,7-10H2,1-2H3,(H2,19,20,23).
What are the key properties of 3-O-[4-(ethylcarbamoylamino)cyclohexyl] 1-O-methyl benzene-1,3-dicarboxylate?
3-O-[4-(ethylcarbamoylamino)cyclohexyl] 1-O-methyl benzene-1,3-dicarboxylate has a molecular weight of 348.40 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-[4-(ethylcarbamoylamino)cyclohexyl] 1-O-methyl benzene-1,3-dicarboxylate is sourced from PubChem (CID 47592468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).