[2-(cyclopentylamino)-2-oxoethyl] 4-(2-methylpropoxy)benzoate

C18H25NO4 — CID 2680572

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 4-(2-methylpropoxy)benzoate
SMILESCC(C)COc1ccc(C(=O)OCC(=O)NC2CCCC2)cc1
InChIInChI=1S/C18H25NO4/c1-13(2)11-22-16-9-7-14(8-10-16)18(21)23-12-17(20)19-15-5-3-4-6-15/h7-10,13,15H,3-6,11-12H2,1-2H3,(H,19,20)
InChIKeyWEIYVTYDFIRMAN-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.94
Rot. Bonds7

About [2-(cyclopentylamino)-2-oxoethyl] 4-(2-methylpropoxy)benzoate

[2-(cyclopentylamino)-2-oxoethyl] 4-(2-methylpropoxy)benzoate (PubChem CID 2680572) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 4-(2-methylpropoxy)benzoate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 4-(2-methylpropoxy)benzoate
PubChem CID2680572
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 4-(2-methylpropoxy)benzoate
SMILESCC(C)COc1ccc(C(=O)OCC(=O)NC2CCCC2)cc1
InChIInChI=1S/C18H25NO4/c1-13(2)11-22-16-9-7-14(8-10-16)18(21)23-12-17(20)19-15-5-3-4-6-15/h7-10,13,15H,3-6,11-12H2,1-2H3,(H,19,20)
InChIKeyWEIYVTYDFIRMAN-UHFFFAOYSA-N
XLogP2.94
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cycloheptylamino)-2-oxoethyl] 4-methoxybenzoate
CID 2376879
[2-oxo-2-(propan-2-ylamino)ethyl] 4-(2-methylpropoxy)benzoate
CID 2680608
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 4-(2-methylpropoxy)benzoate
CID 18276080
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-(2-methylpropoxy)benzoate
CID 7210652
[2-(cyclooctylamino)-2-oxoethyl] 4-hydroxybenzoate
CID 2432953
[2-(cyclohexylamino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate
CID 7796501
[2-(cyclopentylamino)-2-oxoethyl] 4-(oxolan-2-ylmethoxy)benzoate
CID 4540325
[2-(cycloheptylamino)-2-oxoethyl] 4-cyanobenzoate
CID 2351080
[2-(cycloheptylamino)-2-oxoethyl] 4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzoate
CID 41175982
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-(2-methylpropoxy)benzoate
CID 7194150
[2-(cycloheptylamino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 7541782
[2-(cyclopentylamino)-2-oxoethyl] 4-benzoylbenzoate
CID 2606533

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 4-(2-methylpropoxy)benzoate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 4-(2-methylpropoxy)benzoate (CID 2680572) is [2-(cyclopentylamino)-2-oxoethyl] 4-(2-methylpropoxy)benzoate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 4-(2-methylpropoxy)benzoate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 4-(2-methylpropoxy)benzoate is CC(C)COc1ccc(C(=O)OCC(=O)NC2CCCC2)cc1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 4-(2-methylpropoxy)benzoate?
The InChIKey is WEIYVTYDFIRMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-13(2)11-22-16-9-7-14(8-10-16)18(21)23-12-17(20)19-15-5-3-4-6-15/h7-10,13,15H,3-6,11-12H2,1-2H3,(H,19,20).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 4-(2-methylpropoxy)benzoate?
[2-(cyclopentylamino)-2-oxoethyl] 4-(2-methylpropoxy)benzoate has a molecular weight of 319.40 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 4-(2-methylpropoxy)benzoate is sourced from PubChem (CID 2680572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).