[2-(cycloheptylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate

C18H25NO4 — CID 4802412

IUPAC[2-(cycloheptylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)OCC(=O)NC1CCCCCC1
InChIInChI=1S/C18H25NO4/c1-14-8-6-7-11-16(14)22-13-18(21)23-12-17(20)19-15-9-4-2-3-5-10-15/h6-8,11,15H,2-5,9-10,12-13H2,1H3,(H,19,20)
InChIKeyXRZPJTBZCPGYQQ-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.76
Rot. Bonds6

About [2-(cycloheptylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate

[2-(cycloheptylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate (PubChem CID 4802412) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is [2-(cycloheptylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-(cycloheptylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
PubChem CID4802412
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name[2-(cycloheptylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)OCC(=O)NC1CCCCCC1
InChIInChI=1S/C18H25NO4/c1-14-8-6-7-11-16(14)22-13-18(21)23-12-17(20)19-15-9-4-2-3-5-10-15/h6-8,11,15H,2-5,9-10,12-13H2,1H3,(H,19,20)
InChIKeyXRZPJTBZCPGYQQ-UHFFFAOYSA-N
XLogP2.76
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(cycloheptylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate?
The IUPAC name of [2-(cycloheptylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate (CID 4802412) is [2-(cycloheptylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate.
What is the SMILES notation for [2-(cycloheptylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate?
The canonical SMILES for [2-(cycloheptylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate is Cc1ccccc1OCC(=O)OCC(=O)NC1CCCCCC1.
What is the InChIKey of [2-(cycloheptylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate?
The InChIKey is XRZPJTBZCPGYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-14-8-6-7-11-16(14)22-13-18(21)23-12-17(20)19-15-9-4-2-3-5-10-15/h6-8,11,15H,2-5,9-10,12-13H2,1H3,(H,19,20).
What are the key properties of [2-(cycloheptylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate?
[2-(cycloheptylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate has a molecular weight of 319.40 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cycloheptylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate is sourced from PubChem (CID 4802412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).