methyl 4-[cyclopentanecarbonyl(ethyl)amino]benzoate

C16H21NO3 — CID 66998977

IUPACmethyl 4-[cyclopentanecarbonyl(ethyl)amino]benzoate
SMILESCCN(C(=O)C1CCCC1)c1ccc(C(=O)OC)cc1
InChIInChI=1S/C16H21NO3/c1-3-17(15(18)12-6-4-5-7-12)14-10-8-13(9-11-14)16(19)20-2/h8-12H,3-7H2,1-2H3
InChIKeyPALFUWWLIPNVQJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.02
Rot. Bonds4

About methyl 4-[cyclopentanecarbonyl(ethyl)amino]benzoate

methyl 4-[cyclopentanecarbonyl(ethyl)amino]benzoate (PubChem CID 66998977) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is methyl 4-[cyclopentanecarbonyl(ethyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[cyclopentanecarbonyl(ethyl)amino]benzoate
PubChem CID66998977
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Namemethyl 4-[cyclopentanecarbonyl(ethyl)amino]benzoate
SMILESCCN(C(=O)C1CCCC1)c1ccc(C(=O)OC)cc1
InChIInChI=1S/C16H21NO3/c1-3-17(15(18)12-6-4-5-7-12)14-10-8-13(9-11-14)16(19)20-2/h8-12H,3-7H2,1-2H3
InChIKeyPALFUWWLIPNVQJ-UHFFFAOYSA-N
XLogP3.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-phenylcyclohexanecarboxamide
CID 3884538
N-ethyl-N-(4-fluorophenyl)cyclobutanecarboxamide
CID 39964862
N-ethyl-N-phenylcyclobutanecarboxamide
CID 39946342
N-[4-(aminomethyl)phenyl]-N-ethylcyclooctanecarboxamide
CID 65019275
methyl 4-(anilinomethyl)benzoate;methyl 4-[[N-(cyclohexanecarbonyl)anilino]methyl]benzoate
CID 162080781
methyl 4-(4-methoxycarbonyl-N-(4-methoxycarbonylphenyl)anilino)benzoate
CID 143837659
N-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide
CID 533210
4-[ethyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784653
N-ethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 123473878
N-ethyl-N-(4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119280403
3-amino-N-ethyl-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 63046107
methyl 4-(4-methoxycarbonyl-N-methylanilino)benzoate
CID 11335546

Frequently Asked Questions

What is the IUPAC name of methyl 4-[cyclopentanecarbonyl(ethyl)amino]benzoate?
The IUPAC name of methyl 4-[cyclopentanecarbonyl(ethyl)amino]benzoate (CID 66998977) is methyl 4-[cyclopentanecarbonyl(ethyl)amino]benzoate.
What is the SMILES notation for methyl 4-[cyclopentanecarbonyl(ethyl)amino]benzoate?
The canonical SMILES for methyl 4-[cyclopentanecarbonyl(ethyl)amino]benzoate is CCN(C(=O)C1CCCC1)c1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[cyclopentanecarbonyl(ethyl)amino]benzoate?
The InChIKey is PALFUWWLIPNVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-3-17(15(18)12-6-4-5-7-12)14-10-8-13(9-11-14)16(19)20-2/h8-12H,3-7H2,1-2H3.
What are the key properties of methyl 4-[cyclopentanecarbonyl(ethyl)amino]benzoate?
methyl 4-[cyclopentanecarbonyl(ethyl)amino]benzoate has a molecular weight of 275.35 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[cyclopentanecarbonyl(ethyl)amino]benzoate is sourced from PubChem (CID 66998977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).