ethyl 1-(4-methylanilino)cyclopentane-1-carboxylate

C15H21NO2 — CID 54889893

IUPACethyl 1-(4-methylanilino)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(Nc2ccc(C)cc2)CCCC1
InChIInChI=1S/C15H21NO2/c1-3-18-14(17)15(10-4-5-11-15)16-13-8-6-12(2)7-9-13/h6-9,16H,3-5,10-11H2,1-2H3
InChIKeyBJQKBBRRYCKPLR-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.28
Rot. Bonds4

About ethyl 1-(4-methylanilino)cyclopentane-1-carboxylate

ethyl 1-(4-methylanilino)cyclopentane-1-carboxylate (PubChem CID 54889893) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is ethyl 1-(4-methylanilino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-methylanilino)cyclopentane-1-carboxylate
PubChem CID54889893
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Nameethyl 1-(4-methylanilino)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(Nc2ccc(C)cc2)CCCC1
InChIInChI=1S/C15H21NO2/c1-3-18-14(17)15(10-4-5-11-15)16-13-8-6-12(2)7-9-13/h6-9,16H,3-5,10-11H2,1-2H3
InChIKeyBJQKBBRRYCKPLR-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3,3-dimethyl-1-(4-methylanilino)cyclopentane-1-carboxylate
CID 80699790
ethyl 1-(4-methylanilino)-3-propan-2-ylcyclobutane-1-carboxylate
CID 103563427
1-(4-methylanilino)cyclobutane-1-carboxamide
CID 61006087
ethyl 4-(4-fluoroanilino)-1-methylazepane-4-carboxylate
CID 65075163
ethyl 4-(4-fluoroanilino)oxane-4-carboxylate
CID 54890141
ethyl 4-[(1-ethoxycarbonylcyclobutyl)amino]-2-fluorobenzoate
CID 175249459
ethyl 1-anilino-4-ethylcycloheptane-1-carboxylate
CID 65085501
ethyl 4-anilino-1-ethylpiperidine-4-carboxylate
CID 60992582
ethyl 1-(2-bromoanilino)cyclobutane-1-carboxylate
CID 62389465
ethyl 3-(4-methoxyanilino)-1,1-dioxothiolane-3-carboxylate
CID 63166073
ethyl 1-(4-methylphenyl)cyclopentane-1-carboxylate
CID 15029975
ethyl 1-(1H-indazol-5-ylamino)cyclobutane-1-carboxylate
CID 67336209

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-methylanilino)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-(4-methylanilino)cyclopentane-1-carboxylate (CID 54889893) is ethyl 1-(4-methylanilino)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-(4-methylanilino)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-(4-methylanilino)cyclopentane-1-carboxylate is CCOC(=O)C1(Nc2ccc(C)cc2)CCCC1.
What is the InChIKey of ethyl 1-(4-methylanilino)cyclopentane-1-carboxylate?
The InChIKey is BJQKBBRRYCKPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-18-14(17)15(10-4-5-11-15)16-13-8-6-12(2)7-9-13/h6-9,16H,3-5,10-11H2,1-2H3.
What are the key properties of ethyl 1-(4-methylanilino)cyclopentane-1-carboxylate?
ethyl 1-(4-methylanilino)cyclopentane-1-carboxylate has a molecular weight of 247.34 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-methylanilino)cyclopentane-1-carboxylate is sourced from PubChem (CID 54889893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).