ethyl 2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]acetate

C14H26N2O3 — CID 60970198

IUPACethyl 2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(C)C1CCC(CC)CC1
InChIInChI=1S/C14H26N2O3/c1-4-11-6-8-12(9-7-11)16(3)14(18)15-10-13(17)19-5-2/h11-12H,4-10H2,1-3H3,(H,15,18)
InChIKeyKAVPPTRQQBCJHZ-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.16
Rot. Bonds5

About ethyl 2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]acetate

ethyl 2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]acetate (PubChem CID 60970198) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is ethyl 2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]acetate
PubChem CID60970198
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nameethyl 2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(C)C1CCC(CC)CC1
InChIInChI=1S/C14H26N2O3/c1-4-11-6-8-12(9-7-11)16(3)14(18)15-10-13(17)19-5-2/h11-12H,4-10H2,1-3H3,(H,15,18)
InChIKeyKAVPPTRQQBCJHZ-UHFFFAOYSA-N
XLogP2.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]acetate?
The IUPAC name of ethyl 2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]acetate (CID 60970198) is ethyl 2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]acetate is CCOC(=O)CNC(=O)N(C)C1CCC(CC)CC1.
What is the InChIKey of ethyl 2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]acetate?
The InChIKey is KAVPPTRQQBCJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-11-6-8-12(9-7-11)16(3)14(18)15-10-13(17)19-5-2/h11-12H,4-10H2,1-3H3,(H,15,18).
What are the key properties of ethyl 2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]acetate?
ethyl 2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]acetate has a molecular weight of 270.37 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]acetate is sourced from PubChem (CID 60970198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).