methyl 4-[2-[cyclopentylmethyl(ethyl)amino]ethyl]benzoate

C18H27NO2 — CID 167283875

IUPACmethyl 4-[2-[cyclopentylmethyl(ethyl)amino]ethyl]benzoate
SMILESCCN(CCc1ccc(C(=O)OC)cc1)CC1CCCC1
InChIInChI=1S/C18H27NO2/c1-3-19(14-16-6-4-5-7-16)13-12-15-8-10-17(11-9-15)18(20)21-2/h8-11,16H,3-7,12-14H2,1-2H3
InChIKeyGKCXCBPFGVTDFR-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.53
Rot. Bonds7

About methyl 4-[2-[cyclopentylmethyl(ethyl)amino]ethyl]benzoate

methyl 4-[2-[cyclopentylmethyl(ethyl)amino]ethyl]benzoate (PubChem CID 167283875) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is methyl 4-[2-[cyclopentylmethyl(ethyl)amino]ethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[cyclopentylmethyl(ethyl)amino]ethyl]benzoate
PubChem CID167283875
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Namemethyl 4-[2-[cyclopentylmethyl(ethyl)amino]ethyl]benzoate
SMILESCCN(CCc1ccc(C(=O)OC)cc1)CC1CCCC1
InChIInChI=1S/C18H27NO2/c1-3-19(14-16-6-4-5-7-16)13-12-15-8-10-17(11-9-15)18(20)21-2/h8-11,16H,3-7,12-14H2,1-2H3
InChIKeyGKCXCBPFGVTDFR-UHFFFAOYSA-N
XLogP3.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(2-cyclohexylethyl)benzoate
CID 134304144
methyl 4-[2-[ethyl(oxetan-3-yl)amino]ethyl]benzoate
CID 167283570
methyl 4-(2-piperidin-3-ylethyl)benzoate
CID 126844861
3-[ethyl-[(4-methoxycarbonylphenyl)methyl]amino]propanoic acid
CID 65062900
methyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate
CID 4063050
methyl 4-[cyclopentanecarbonyl(ethyl)amino]benzoate
CID 66998977
methyl 4-[[cyclopropylmethyl(ethyl)amino]methyl]-2-fluorobenzoate
CID 103749438
methyl 4-[4-(4-propylphenyl)phenyl]benzoate
CID 142331537
2-[(4-methoxycarbonylphenyl)methyl-propylamino]acetic acid
CID 65064783
methyl 3-amino-4-[cyclopentylmethyl(methyl)amino]benzoate
CID 55250036
methyl 4-(piperidin-3-ylmethyl)benzoate
CID 45074031
methyl 4-[2-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]benzoate
CID 174317791

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[cyclopentylmethyl(ethyl)amino]ethyl]benzoate?
The IUPAC name of methyl 4-[2-[cyclopentylmethyl(ethyl)amino]ethyl]benzoate (CID 167283875) is methyl 4-[2-[cyclopentylmethyl(ethyl)amino]ethyl]benzoate.
What is the SMILES notation for methyl 4-[2-[cyclopentylmethyl(ethyl)amino]ethyl]benzoate?
The canonical SMILES for methyl 4-[2-[cyclopentylmethyl(ethyl)amino]ethyl]benzoate is CCN(CCc1ccc(C(=O)OC)cc1)CC1CCCC1.
What is the InChIKey of methyl 4-[2-[cyclopentylmethyl(ethyl)amino]ethyl]benzoate?
The InChIKey is GKCXCBPFGVTDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-3-19(14-16-6-4-5-7-16)13-12-15-8-10-17(11-9-15)18(20)21-2/h8-11,16H,3-7,12-14H2,1-2H3.
What are the key properties of methyl 4-[2-[cyclopentylmethyl(ethyl)amino]ethyl]benzoate?
methyl 4-[2-[cyclopentylmethyl(ethyl)amino]ethyl]benzoate has a molecular weight of 289.42 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[cyclopentylmethyl(ethyl)amino]ethyl]benzoate is sourced from PubChem (CID 167283875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).