ethyl 2-[(3,4-dimethylcyclohexyl)carbamoylamino]acetate

C13H24N2O3 — CID 64743741

IUPACethyl 2-[(3,4-dimethylcyclohexyl)carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NC1CCC(C)C(C)C1
InChIInChI=1S/C13H24N2O3/c1-4-18-12(16)8-14-13(17)15-11-6-5-9(2)10(3)7-11/h9-11H,4-8H2,1-3H3,(H2,14,15,17)
InChIKeyUILVYRSGAZNBIX-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.67
Rot. Bonds4

About ethyl 2-[(3,4-dimethylcyclohexyl)carbamoylamino]acetate

ethyl 2-[(3,4-dimethylcyclohexyl)carbamoylamino]acetate (PubChem CID 64743741) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is ethyl 2-[(3,4-dimethylcyclohexyl)carbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3,4-dimethylcyclohexyl)carbamoylamino]acetate
PubChem CID64743741
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nameethyl 2-[(3,4-dimethylcyclohexyl)carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NC1CCC(C)C(C)C1
InChIInChI=1S/C13H24N2O3/c1-4-18-12(16)8-14-13(17)15-11-6-5-9(2)10(3)7-11/h9-11H,4-8H2,1-3H3,(H2,14,15,17)
InChIKeyUILVYRSGAZNBIX-UHFFFAOYSA-N
XLogP1.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3,4-dimethylcyclohexyl)carbamoylamino]acetate?
The IUPAC name of ethyl 2-[(3,4-dimethylcyclohexyl)carbamoylamino]acetate (CID 64743741) is ethyl 2-[(3,4-dimethylcyclohexyl)carbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[(3,4-dimethylcyclohexyl)carbamoylamino]acetate?
The canonical SMILES for ethyl 2-[(3,4-dimethylcyclohexyl)carbamoylamino]acetate is CCOC(=O)CNC(=O)NC1CCC(C)C(C)C1.
What is the InChIKey of ethyl 2-[(3,4-dimethylcyclohexyl)carbamoylamino]acetate?
The InChIKey is UILVYRSGAZNBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-18-12(16)8-14-13(17)15-11-6-5-9(2)10(3)7-11/h9-11H,4-8H2,1-3H3,(H2,14,15,17).
What are the key properties of ethyl 2-[(3,4-dimethylcyclohexyl)carbamoylamino]acetate?
ethyl 2-[(3,4-dimethylcyclohexyl)carbamoylamino]acetate has a molecular weight of 256.35 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3,4-dimethylcyclohexyl)carbamoylamino]acetate is sourced from PubChem (CID 64743741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).