4-ethyl-1-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid

C14H25N3O4 — CID 60710242

IUPAC4-ethyl-1-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCCNC(=O)CNC(=O)NC1(C(=O)O)CCC(CC)CC1
InChIInChI=1S/C14H25N3O4/c1-3-10-5-7-14(8-6-10,12(19)20)17-13(21)16-9-11(18)15-4-2/h10H,3-9H2,1-2H3,(H,15,18)(H,19,20)(H2,16,17,21)
InChIKeyMYJDVJJREZDVDU-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.85
Rot. Bonds6

About 4-ethyl-1-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid

4-ethyl-1-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 60710242) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-ethyl-1-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID60710242
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name4-ethyl-1-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCCNC(=O)CNC(=O)NC1(C(=O)O)CCC(CC)CC1
InChIInChI=1S/C14H25N3O4/c1-3-10-5-7-14(8-6-10,12(19)20)17-13(21)16-9-11(18)15-4-2/h10H,3-9H2,1-2H3,(H,15,18)(H,19,20)(H2,16,17,21)
InChIKeyMYJDVJJREZDVDU-UHFFFAOYSA-N
XLogP0.85
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethyl-1-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid (CID 60710242) is 4-ethyl-1-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid is CCNC(=O)CNC(=O)NC1(C(=O)O)CCC(CC)CC1.
What is the InChIKey of 4-ethyl-1-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is MYJDVJJREZDVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-3-10-5-7-14(8-6-10,12(19)20)17-13(21)16-9-11(18)15-4-2/h10H,3-9H2,1-2H3,(H,15,18)(H,19,20)(H2,16,17,21).
What are the key properties of 4-ethyl-1-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid?
4-ethyl-1-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 0.85, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60710242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).