methyl 3-ethyl-1-(2-methoxyanilino)cyclopentane-1-carboxylate

C16H23NO3 — CID 64513805

IUPACmethyl 3-ethyl-1-(2-methoxyanilino)cyclopentane-1-carboxylate
SMILESCCC1CCC(Nc2ccccc2OC)(C(=O)OC)C1
InChIInChI=1S/C16H23NO3/c1-4-12-9-10-16(11-12,15(18)20-3)17-13-7-5-6-8-14(13)19-2/h5-8,12,17H,4,9-11H2,1-3H3
InChIKeyQRSLYCDWNKMMJS-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.23
Rot. Bonds5

About methyl 3-ethyl-1-(2-methoxyanilino)cyclopentane-1-carboxylate

methyl 3-ethyl-1-(2-methoxyanilino)cyclopentane-1-carboxylate (PubChem CID 64513805) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is methyl 3-ethyl-1-(2-methoxyanilino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-ethyl-1-(2-methoxyanilino)cyclopentane-1-carboxylate
PubChem CID64513805
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namemethyl 3-ethyl-1-(2-methoxyanilino)cyclopentane-1-carboxylate
SMILESCCC1CCC(Nc2ccccc2OC)(C(=O)OC)C1
InChIInChI=1S/C16H23NO3/c1-4-12-9-10-16(11-12,15(18)20-3)17-13-7-5-6-8-14(13)19-2/h5-8,12,17H,4,9-11H2,1-3H3
InChIKeyQRSLYCDWNKMMJS-UHFFFAOYSA-N
XLogP3.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-1-(2-methoxyanilino)cyclohexane-1-carboxamide
CID 60996320
methyl 1-(2-methoxyanilino)cyclopropane-1-carboxylate
CID 103439505
1-(2-methoxyanilino)-4-propylcyclohexane-1-carboxylic acid
CID 60994309
methyl 3-ethyl-1-(4-fluoroanilino)cyclopentane-1-carboxylate
CID 64513340
methyl 1-(2-methoxyanilino)cyclohexane-1-carboxylate
CID 54890268
methyl 1-(benzylamino)-3-ethylcyclopentane-1-carboxylate
CID 64513799
N-[1-(aminomethyl)-3-ethylcyclopentyl]-2-methoxyaniline
CID 65383362
methyl 4-(2-methoxyanilino)piperidine-4-carboxylate
CID 61245036
ethyl 3-(2-methoxyanilino)thiolane-3-carboxylate
CID 54890456
1-(2-methoxyanilino)cyclobutane-1-carboxamide
CID 60996883
4-ethyl-1-(2-fluoroanilino)cyclohexane-1-carboxylic acid
CID 60993612
methyl 4-ethyl-1-(3-methylanilino)cyclohexane-1-carboxylate
CID 60994222

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethyl-1-(2-methoxyanilino)cyclopentane-1-carboxylate?
The IUPAC name of methyl 3-ethyl-1-(2-methoxyanilino)cyclopentane-1-carboxylate (CID 64513805) is methyl 3-ethyl-1-(2-methoxyanilino)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 3-ethyl-1-(2-methoxyanilino)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 3-ethyl-1-(2-methoxyanilino)cyclopentane-1-carboxylate is CCC1CCC(Nc2ccccc2OC)(C(=O)OC)C1.
What is the InChIKey of methyl 3-ethyl-1-(2-methoxyanilino)cyclopentane-1-carboxylate?
The InChIKey is QRSLYCDWNKMMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-12-9-10-16(11-12,15(18)20-3)17-13-7-5-6-8-14(13)19-2/h5-8,12,17H,4,9-11H2,1-3H3.
What are the key properties of methyl 3-ethyl-1-(2-methoxyanilino)cyclopentane-1-carboxylate?
methyl 3-ethyl-1-(2-methoxyanilino)cyclopentane-1-carboxylate has a molecular weight of 277.36 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethyl-1-(2-methoxyanilino)cyclopentane-1-carboxylate is sourced from PubChem (CID 64513805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).