ethyl 2-[[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetate

C13H24N2O3 — CID 60656218

IUPACethyl 2-[[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(C)C1CCC(C)CC1
InChIInChI=1S/C13H24N2O3/c1-4-18-12(16)9-14-13(17)15(3)11-7-5-10(2)6-8-11/h10-11H,4-9H2,1-3H3,(H,14,17)
InChIKeyXKRZVTIBOOQAQC-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.77
Rot. Bonds4

About ethyl 2-[[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetate

ethyl 2-[[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetate (PubChem CID 60656218) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is ethyl 2-[[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetate
PubChem CID60656218
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nameethyl 2-[[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(C)C1CCC(C)CC1
InChIInChI=1S/C13H24N2O3/c1-4-18-12(16)9-14-13(17)15(3)11-7-5-10(2)6-8-11/h10-11H,4-9H2,1-3H3,(H,14,17)
InChIKeyXKRZVTIBOOQAQC-UHFFFAOYSA-N
XLogP1.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetate?
The IUPAC name of ethyl 2-[[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetate (CID 60656218) is ethyl 2-[[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetate is CCOC(=O)CNC(=O)N(C)C1CCC(C)CC1.
What is the InChIKey of ethyl 2-[[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetate?
The InChIKey is XKRZVTIBOOQAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-18-12(16)9-14-13(17)15(3)11-7-5-10(2)6-8-11/h10-11H,4-9H2,1-3H3,(H,14,17).
What are the key properties of ethyl 2-[[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetate?
ethyl 2-[[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetate has a molecular weight of 256.35 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetate is sourced from PubChem (CID 60656218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).