[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-(1,3-dioxolan-2-yl)benzoate

C19H25NO5 — CID 71907743

IUPAC[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-(1,3-dioxolan-2-yl)benzoate
SMILESCN(C(=O)COC(=O)c1cccc(C2OCCO2)c1)C1CCCCC1
InChIInChI=1S/C19H25NO5/c1-20(16-8-3-2-4-9-16)17(21)13-25-18(22)14-6-5-7-15(12-14)19-23-10-11-24-19/h5-7,12,16,19H,2-4,8-11,13H2,1H3
InChIKeyRRUFPBQFJXNZHZ-UHFFFAOYSA-N
MW347.41 g/mol
LogP2.68
Rot. Bonds5

About [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-(1,3-dioxolan-2-yl)benzoate

[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-(1,3-dioxolan-2-yl)benzoate (PubChem CID 71907743) has the molecular formula C19H25NO5 and a molecular weight of 347.41 g/mol. Its IUPAC name is [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-(1,3-dioxolan-2-yl)benzoate.

Molecular Properties

Compound Name[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-(1,3-dioxolan-2-yl)benzoate
PubChem CID71907743
Molecular FormulaC19H25NO5
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Name[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-(1,3-dioxolan-2-yl)benzoate
SMILESCN(C(=O)COC(=O)c1cccc(C2OCCO2)c1)C1CCCCC1
InChIInChI=1S/C19H25NO5/c1-20(16-8-3-2-4-9-16)17(21)13-25-18(22)14-6-5-7-15(12-14)19-23-10-11-24-19/h5-7,12,16,19H,2-4,8-11,13H2,1H3
InChIKeyRRUFPBQFJXNZHZ-UHFFFAOYSA-N
XLogP2.68
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-(1,3-dioxolan-2-yl)benzoate?
The IUPAC name of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-(1,3-dioxolan-2-yl)benzoate (CID 71907743) is [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-(1,3-dioxolan-2-yl)benzoate.
What is the SMILES notation for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-(1,3-dioxolan-2-yl)benzoate?
The canonical SMILES for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-(1,3-dioxolan-2-yl)benzoate is CN(C(=O)COC(=O)c1cccc(C2OCCO2)c1)C1CCCCC1.
What is the InChIKey of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-(1,3-dioxolan-2-yl)benzoate?
The InChIKey is RRUFPBQFJXNZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO5/c1-20(16-8-3-2-4-9-16)17(21)13-25-18(22)14-6-5-7-15(12-14)19-23-10-11-24-19/h5-7,12,16,19H,2-4,8-11,13H2,1H3.
What are the key properties of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-(1,3-dioxolan-2-yl)benzoate?
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-(1,3-dioxolan-2-yl)benzoate has a molecular weight of 347.41 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-(1,3-dioxolan-2-yl)benzoate is sourced from PubChem (CID 71907743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).