ethyl 3,3-dimethyl-1-(4-methylanilino)cyclopentane-1-carboxylate

C17H25NO2 — CID 80699790

IUPACethyl 3,3-dimethyl-1-(4-methylanilino)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(Nc2ccc(C)cc2)CCC(C)(C)C1
InChIInChI=1S/C17H25NO2/c1-5-20-15(19)17(11-10-16(3,4)12-17)18-14-8-6-13(2)7-9-14/h6-9,18H,5,10-12H2,1-4H3
InChIKeyZFMQIILEULJBKK-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.92
Rot. Bonds4

About ethyl 3,3-dimethyl-1-(4-methylanilino)cyclopentane-1-carboxylate

ethyl 3,3-dimethyl-1-(4-methylanilino)cyclopentane-1-carboxylate (PubChem CID 80699790) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is ethyl 3,3-dimethyl-1-(4-methylanilino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3,3-dimethyl-1-(4-methylanilino)cyclopentane-1-carboxylate
PubChem CID80699790
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Nameethyl 3,3-dimethyl-1-(4-methylanilino)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(Nc2ccc(C)cc2)CCC(C)(C)C1
InChIInChI=1S/C17H25NO2/c1-5-20-15(19)17(11-10-16(3,4)12-17)18-14-8-6-13(2)7-9-14/h6-9,18H,5,10-12H2,1-4H3
InChIKeyZFMQIILEULJBKK-UHFFFAOYSA-N
XLogP3.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(4-methylanilino)cyclopentane-1-carboxylate
CID 54889893
ethyl 1-(4-methylanilino)-3-propan-2-ylcyclobutane-1-carboxylate
CID 103563427
ethyl 3,3-dimethyl-1-(prop-2-ynylamino)cyclopentane-1-carboxylate
CID 80700136
ethyl 3,3-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxylate
CID 80698525
ethyl 4,4-dimethyl-1-(4-methylphenyl)cyclohexane-1-carboxylate
CID 15029983
ethyl 4-(4-fluoroanilino)oxane-4-carboxylate
CID 54890141
ethyl 3-ethyl-4-(4-methylanilino)piperidine-4-carboxylate
CID 114509075
ethyl 3-(4-bromoanilino)thiolane-3-carboxylate
CID 54890590
ethyl 3-(4-chloroanilino)oxolane-3-carboxylate
CID 63333028
ethyl 4-anilino-1-ethylpiperidine-4-carboxylate
CID 60992582
1-(4-methylanilino)cyclobutane-1-carboxamide
CID 61006087
ethyl 3-(4-methoxyanilino)-1,1-dioxothiolane-3-carboxylate
CID 63166073

Frequently Asked Questions

What is the IUPAC name of ethyl 3,3-dimethyl-1-(4-methylanilino)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 3,3-dimethyl-1-(4-methylanilino)cyclopentane-1-carboxylate (CID 80699790) is ethyl 3,3-dimethyl-1-(4-methylanilino)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 3,3-dimethyl-1-(4-methylanilino)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 3,3-dimethyl-1-(4-methylanilino)cyclopentane-1-carboxylate is CCOC(=O)C1(Nc2ccc(C)cc2)CCC(C)(C)C1.
What is the InChIKey of ethyl 3,3-dimethyl-1-(4-methylanilino)cyclopentane-1-carboxylate?
The InChIKey is ZFMQIILEULJBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-5-20-15(19)17(11-10-16(3,4)12-17)18-14-8-6-13(2)7-9-14/h6-9,18H,5,10-12H2,1-4H3.
What are the key properties of ethyl 3,3-dimethyl-1-(4-methylanilino)cyclopentane-1-carboxylate?
ethyl 3,3-dimethyl-1-(4-methylanilino)cyclopentane-1-carboxylate has a molecular weight of 275.39 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,3-dimethyl-1-(4-methylanilino)cyclopentane-1-carboxylate is sourced from PubChem (CID 80699790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).