4-[2-(diethylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid

C14H26N2O3 — CID 63784312

IUPAC4-[2-(diethylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCCN(CC)CCNC(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C14H26N2O3/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(8-6-11)14(18)19/h11-12H,3-10H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyDJGGSPUNERKTOV-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.34
Rot. Bonds7

About 4-[2-(diethylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid

4-[2-(diethylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 63784312) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-[2-(diethylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(diethylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID63784312
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name4-[2-(diethylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCCN(CC)CCNC(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C14H26N2O3/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(8-6-11)14(18)19/h11-12H,3-10H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyDJGGSPUNERKTOV-UHFFFAOYSA-N
XLogP1.34
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[2-(diethylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid (CID 63784312) is 4-[2-(diethylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[2-(diethylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[2-(diethylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid is CCN(CC)CCNC(=O)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[2-(diethylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is DJGGSPUNERKTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(8-6-11)14(18)19/h11-12H,3-10H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 4-[2-(diethylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
4-[2-(diethylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63784312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).