1-[bis(2-methoxyethyl)carbamoylamino]cyclohexane-1-carboxylic acid

C14H26N2O5 — CID 11507733

IUPAC1-[bis(2-methoxyethyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCOCCN(CCOC)C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H26N2O5/c1-20-10-8-16(9-11-21-2)13(19)15-14(12(17)18)6-4-3-5-7-14/h3-11H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyLJFNKXANEMJSLB-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.08
Rot. Bonds8

About 1-[bis(2-methoxyethyl)carbamoylamino]cyclohexane-1-carboxylic acid

1-[bis(2-methoxyethyl)carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 11507733) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-[bis(2-methoxyethyl)carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[bis(2-methoxyethyl)carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID11507733
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Name1-[bis(2-methoxyethyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCOCCN(CCOC)C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H26N2O5/c1-20-10-8-16(9-11-21-2)13(19)15-14(12(17)18)6-4-3-5-7-14/h3-11H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyLJFNKXANEMJSLB-UHFFFAOYSA-N
XLogP1.08
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-methoxyethyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[bis(2-methoxyethyl)carbamoylamino]cyclohexane-1-carboxylic acid (CID 11507733) is 1-[bis(2-methoxyethyl)carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[bis(2-methoxyethyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[bis(2-methoxyethyl)carbamoylamino]cyclohexane-1-carboxylic acid is COCCN(CCOC)C(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[bis(2-methoxyethyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is LJFNKXANEMJSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5/c1-20-10-8-16(9-11-21-2)13(19)15-14(12(17)18)6-4-3-5-7-14/h3-11H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 1-[bis(2-methoxyethyl)carbamoylamino]cyclohexane-1-carboxylic acid?
1-[bis(2-methoxyethyl)carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 302.37 g/mol, XLogP of 1.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-methoxyethyl)carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 11507733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).