[2-(cycloheptylamino)-2-oxoethyl] benzoate

C16H21NO3 — CID 2642588

IUPAC[2-(cycloheptylamino)-2-oxoethyl] benzoate
SMILESO=C(COC(=O)c1ccccc1)NC1CCCCCC1
InChIInChI=1S/C16H21NO3/c18-15(17-14-10-6-1-2-7-11-14)12-20-16(19)13-8-4-3-5-9-13/h3-5,8-9,14H,1-2,6-7,10-12H2,(H,17,18)
InChIKeyBYKFGFMUSMSYPB-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.68
Rot. Bonds4

About [2-(cycloheptylamino)-2-oxoethyl] benzoate

[2-(cycloheptylamino)-2-oxoethyl] benzoate (PubChem CID 2642588) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is [2-(cycloheptylamino)-2-oxoethyl] benzoate.

Molecular Properties

Compound Name[2-(cycloheptylamino)-2-oxoethyl] benzoate
PubChem CID2642588
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name[2-(cycloheptylamino)-2-oxoethyl] benzoate
SMILESO=C(COC(=O)c1ccccc1)NC1CCCCCC1
InChIInChI=1S/C16H21NO3/c18-15(17-14-10-6-1-2-7-11-14)12-20-16(19)13-8-4-3-5-9-13/h3-5,8-9,14H,1-2,6-7,10-12H2,(H,17,18)
InChIKeyBYKFGFMUSMSYPB-UHFFFAOYSA-N
XLogP2.68
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(cycloheptylamino)-2-oxoethyl] benzoate?
The IUPAC name of [2-(cycloheptylamino)-2-oxoethyl] benzoate (CID 2642588) is [2-(cycloheptylamino)-2-oxoethyl] benzoate.
What is the SMILES notation for [2-(cycloheptylamino)-2-oxoethyl] benzoate?
The canonical SMILES for [2-(cycloheptylamino)-2-oxoethyl] benzoate is O=C(COC(=O)c1ccccc1)NC1CCCCCC1.
What is the InChIKey of [2-(cycloheptylamino)-2-oxoethyl] benzoate?
The InChIKey is BYKFGFMUSMSYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c18-15(17-14-10-6-1-2-7-11-14)12-20-16(19)13-8-4-3-5-9-13/h3-5,8-9,14H,1-2,6-7,10-12H2,(H,17,18).
What are the key properties of [2-(cycloheptylamino)-2-oxoethyl] benzoate?
[2-(cycloheptylamino)-2-oxoethyl] benzoate has a molecular weight of 275.35 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cycloheptylamino)-2-oxoethyl] benzoate is sourced from PubChem (CID 2642588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).