ethyl 3-(cyclopentylmethylamino)benzoate

C15H21NO2 — CID 62070865

IUPACethyl 3-(cyclopentylmethylamino)benzoate
SMILESCCOC(=O)c1cccc(NCC2CCCC2)c1
InChIInChI=1S/C15H21NO2/c1-2-18-15(17)13-8-5-9-14(10-13)16-11-12-6-3-4-7-12/h5,8-10,12,16H,2-4,6-7,11H2,1H3
InChIKeyNHPSNGFYEONSDS-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.47
Rot. Bonds5

About ethyl 3-(cyclopentylmethylamino)benzoate

ethyl 3-(cyclopentylmethylamino)benzoate (PubChem CID 62070865) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is ethyl 3-(cyclopentylmethylamino)benzoate.

Molecular Properties

Compound Nameethyl 3-(cyclopentylmethylamino)benzoate
PubChem CID62070865
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Nameethyl 3-(cyclopentylmethylamino)benzoate
SMILESCCOC(=O)c1cccc(NCC2CCCC2)c1
InChIInChI=1S/C15H21NO2/c1-2-18-15(17)13-8-5-9-14(10-13)16-11-12-6-3-4-7-12/h5,8-10,12,16H,2-4,6-7,11H2,1H3
InChIKeyNHPSNGFYEONSDS-UHFFFAOYSA-N
XLogP3.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[(5-methyloxolan-2-yl)methylamino]benzoate
CID 82834519
ethyl 3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methylamino]benzoate
CID 156761076
ethyl 3-(3-cyclopentylpropanoylamino)benzoate
CID 837279
3-(cyclohexylmethylamino)-N,N-diethylbenzamide
CID 43081416
ethyl 3-(2,2-dimethylpropylamino)benzoate
CID 61325546
ethyl 4-(cyclopropylmethylamino)benzoate
CID 43654962
ethyl 3-amino-4-(cyclohexylmethylamino)benzoate
CID 61305342
ethyl 3-[(2-methoxycyclohexyl)amino]benzoate
CID 43774526
ethyl 3-(cyclobutylcarbamoylamino)benzoate
CID 3737149
ethyl 3-acetamidobenzoate
CID 700589
ethyl 3-(cyclopentanecarbonyl)benzoate
CID 24724160
ethyl 3-[(4-propylcyclohexyl)amino]benzoate
CID 43139424

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(cyclopentylmethylamino)benzoate?
The IUPAC name of ethyl 3-(cyclopentylmethylamino)benzoate (CID 62070865) is ethyl 3-(cyclopentylmethylamino)benzoate.
What is the SMILES notation for ethyl 3-(cyclopentylmethylamino)benzoate?
The canonical SMILES for ethyl 3-(cyclopentylmethylamino)benzoate is CCOC(=O)c1cccc(NCC2CCCC2)c1.
What is the InChIKey of ethyl 3-(cyclopentylmethylamino)benzoate?
The InChIKey is NHPSNGFYEONSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-18-15(17)13-8-5-9-14(10-13)16-11-12-6-3-4-7-12/h5,8-10,12,16H,2-4,6-7,11H2,1H3.
What are the key properties of ethyl 3-(cyclopentylmethylamino)benzoate?
ethyl 3-(cyclopentylmethylamino)benzoate has a molecular weight of 247.34 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(cyclopentylmethylamino)benzoate is sourced from PubChem (CID 62070865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).