methyl 2-[2-(cyclohexylamino)-2-oxoethoxy]benzoate

C16H21NO4 — CID 891719

IUPACmethyl 2-[2-(cyclohexylamino)-2-oxoethoxy]benzoate
SMILESCOC(=O)c1ccccc1OCC(=O)NC1CCCCC1
InChIInChI=1S/C16H21NO4/c1-20-16(19)13-9-5-6-10-14(13)21-11-15(18)17-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,17,18)
InChIKeyRNONZBVRVJUJAA-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.30
Rot. Bonds5

About methyl 2-[2-(cyclohexylamino)-2-oxoethoxy]benzoate

methyl 2-[2-(cyclohexylamino)-2-oxoethoxy]benzoate (PubChem CID 891719) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is methyl 2-[2-(cyclohexylamino)-2-oxoethoxy]benzoate.

Molecular Properties

Compound Namemethyl 2-[2-(cyclohexylamino)-2-oxoethoxy]benzoate
PubChem CID891719
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Namemethyl 2-[2-(cyclohexylamino)-2-oxoethoxy]benzoate
SMILESCOC(=O)c1ccccc1OCC(=O)NC1CCCCC1
InChIInChI=1S/C16H21NO4/c1-20-16(19)13-9-5-6-10-14(13)21-11-15(18)17-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,17,18)
InChIKeyRNONZBVRVJUJAA-UHFFFAOYSA-N
XLogP2.30
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(cyclohexylamino)-2-oxoethoxy]benzoate?
The IUPAC name of methyl 2-[2-(cyclohexylamino)-2-oxoethoxy]benzoate (CID 891719) is methyl 2-[2-(cyclohexylamino)-2-oxoethoxy]benzoate.
What is the SMILES notation for methyl 2-[2-(cyclohexylamino)-2-oxoethoxy]benzoate?
The canonical SMILES for methyl 2-[2-(cyclohexylamino)-2-oxoethoxy]benzoate is COC(=O)c1ccccc1OCC(=O)NC1CCCCC1.
What is the InChIKey of methyl 2-[2-(cyclohexylamino)-2-oxoethoxy]benzoate?
The InChIKey is RNONZBVRVJUJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-20-16(19)13-9-5-6-10-14(13)21-11-15(18)17-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,17,18).
What are the key properties of methyl 2-[2-(cyclohexylamino)-2-oxoethoxy]benzoate?
methyl 2-[2-(cyclohexylamino)-2-oxoethoxy]benzoate has a molecular weight of 291.35 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(cyclohexylamino)-2-oxoethoxy]benzoate is sourced from PubChem (CID 891719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).