ethyl 2-[[3-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]cyclohexanecarbonyl]amino]propanoate

C18H30N2O6 — CID 51126861

IUPACethyl 2-[[3-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]cyclohexanecarbonyl]amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)C1CCCC(C(=O)NC(C)C(=O)OCC)C1
InChIInChI=1S/C18H30N2O6/c1-5-25-17(23)11(3)19-15(21)13-8-7-9-14(10-13)16(22)20-12(4)18(24)26-6-2/h11-14H,5-10H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyOSPCJZUCESGQIJ-UHFFFAOYSA-N
MW370.45 g/mol
LogP0.93
Rot. Bonds8

About ethyl 2-[[3-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]cyclohexanecarbonyl]amino]propanoate

ethyl 2-[[3-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]cyclohexanecarbonyl]amino]propanoate (PubChem CID 51126861) has the molecular formula C18H30N2O6 and a molecular weight of 370.45 g/mol. Its IUPAC name is ethyl 2-[[3-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]cyclohexanecarbonyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[3-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]cyclohexanecarbonyl]amino]propanoate
PubChem CID51126861
Molecular FormulaC18H30N2O6
Molecular Weight370.45 g/mol
Exact Mass370.21
IUPAC Nameethyl 2-[[3-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]cyclohexanecarbonyl]amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)C1CCCC(C(=O)NC(C)C(=O)OCC)C1
InChIInChI=1S/C18H30N2O6/c1-5-25-17(23)11(3)19-15(21)13-8-7-9-14(10-13)16(22)20-12(4)18(24)26-6-2/h11-14H,5-10H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyOSPCJZUCESGQIJ-UHFFFAOYSA-N
XLogP0.93
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[3-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]cyclohexanecarbonyl]amino]propanoate with MolForge

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Related Compounds

Ethyl N-((5-methyl-2-(isopropyl)cyclohexyl)carbonyl)glycinate
CID 11521869
N-((Ethoxycarbonyl)methyl)-p-menthane-3-carboxamide
CID 11615984
methyl N-[(4-methylcyclohexyl)carbonyl]isoleucylvalinate
CID 3242508
ethyl N-[(4-methylcyclohexyl)carbonyl]isoleucylglycinate
CID 3245408
ethyl N-[(4-ethylcyclohexyl)carbonyl]valylalaninate
CID 3236211
methyl N-[(4-methylcyclohexyl)carbonyl]leucylvalinate
CID 9550205
l-Alanine, N-cyclohexylcarbonyl-, methyl ester
CID 558276
ST089299
CID 344675
ethyl N-(cyclohexylcarbonyl)leucylglycinate
CID 9551490
methyl N-[(4-methylcyclohexyl)carbonyl]valylvalinate
CID 16188547
cyclopropyl (2R)-2-(cyclohexanecarbonylamino)propanoate
CID 171357287
[2-(Cyclopentylamino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 16303750

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]cyclohexanecarbonyl]amino]propanoate?
The IUPAC name of ethyl 2-[[3-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]cyclohexanecarbonyl]amino]propanoate (CID 51126861) is ethyl 2-[[3-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]cyclohexanecarbonyl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[3-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]cyclohexanecarbonyl]amino]propanoate?
The canonical SMILES for ethyl 2-[[3-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]cyclohexanecarbonyl]amino]propanoate is CCOC(=O)C(C)NC(=O)C1CCCC(C(=O)NC(C)C(=O)OCC)C1.
What is the InChIKey of ethyl 2-[[3-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]cyclohexanecarbonyl]amino]propanoate?
The InChIKey is OSPCJZUCESGQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O6/c1-5-25-17(23)11(3)19-15(21)13-8-7-9-14(10-13)16(22)20-12(4)18(24)26-6-2/h11-14H,5-10H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of ethyl 2-[[3-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]cyclohexanecarbonyl]amino]propanoate?
ethyl 2-[[3-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]cyclohexanecarbonyl]amino]propanoate has a molecular weight of 370.45 g/mol, XLogP of 0.93, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]cyclohexanecarbonyl]amino]propanoate is sourced from PubChem (CID 51126861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).