ethyl 2-(cyclopentylamino)-2-(2,5-dimethylphenyl)propanoate

C18H27NO2 — CID 60998776

IUPACethyl 2-(cyclopentylamino)-2-(2,5-dimethylphenyl)propanoate
SMILESCCOC(=O)C(C)(NC1CCCC1)c1cc(C)ccc1C
InChIInChI=1S/C18H27NO2/c1-5-21-17(20)18(4,19-15-8-6-7-9-15)16-12-13(2)10-11-14(16)3/h10-12,15,19H,5-9H2,1-4H3
InChIKeyXNMXDEBBVIGTAU-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.61
Rot. Bonds5

About ethyl 2-(cyclopentylamino)-2-(2,5-dimethylphenyl)propanoate

ethyl 2-(cyclopentylamino)-2-(2,5-dimethylphenyl)propanoate (PubChem CID 60998776) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is ethyl 2-(cyclopentylamino)-2-(2,5-dimethylphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-(cyclopentylamino)-2-(2,5-dimethylphenyl)propanoate
PubChem CID60998776
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Nameethyl 2-(cyclopentylamino)-2-(2,5-dimethylphenyl)propanoate
SMILESCCOC(=O)C(C)(NC1CCCC1)c1cc(C)ccc1C
InChIInChI=1S/C18H27NO2/c1-5-21-17(20)18(4,19-15-8-6-7-9-15)16-12-13(2)10-11-14(16)3/h10-12,15,19H,5-9H2,1-4H3
InChIKeyXNMXDEBBVIGTAU-UHFFFAOYSA-N
XLogP3.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(cyclopentylamino)-2-(2-methylphenyl)propanoate
CID 60999013
ethyl 2-(cyclopropylamino)-2-(2-methoxy-5-methylphenyl)propanoate
CID 60796294
ethyl 2-(cyclopropylmethylamino)-2-(2,5-dimethylphenyl)propanoate
CID 61001487
ethyl 2-(cyclopentylamino)-2-(2,5-difluorophenyl)propanoate
CID 60997342
ethyl 2-(2-bromophenyl)-2-(cyclopentylamino)propanoate
CID 60998155
ethyl 2-(cyclopentylamino)-2-(2-methoxyphenyl)propanoate
CID 60997682
ethyl 2-(cyclopentylamino)-2-phenylpropanoate
CID 54893875
2-(cyclopentylamino)-2-(2,4-dimethylphenyl)propanamide
CID 54894284
ethyl 2-(2,5-dimethylphenyl)-2-(prop-2-ynylamino)propanoate
CID 55063389
ethyl 2-(2,5-dimethylphenyl)-2-(2-methoxyethylamino)propanoate
CID 62541176
ethyl 2-(2-chlorophenyl)-2-(cyclopropylamino)propanoate
CID 54918219
ethyl 2-(5-bromofuran-2-yl)-2-(cyclopentylamino)propanoate
CID 113437629

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopentylamino)-2-(2,5-dimethylphenyl)propanoate?
The IUPAC name of ethyl 2-(cyclopentylamino)-2-(2,5-dimethylphenyl)propanoate (CID 60998776) is ethyl 2-(cyclopentylamino)-2-(2,5-dimethylphenyl)propanoate.
What is the SMILES notation for ethyl 2-(cyclopentylamino)-2-(2,5-dimethylphenyl)propanoate?
The canonical SMILES for ethyl 2-(cyclopentylamino)-2-(2,5-dimethylphenyl)propanoate is CCOC(=O)C(C)(NC1CCCC1)c1cc(C)ccc1C.
What is the InChIKey of ethyl 2-(cyclopentylamino)-2-(2,5-dimethylphenyl)propanoate?
The InChIKey is XNMXDEBBVIGTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-5-21-17(20)18(4,19-15-8-6-7-9-15)16-12-13(2)10-11-14(16)3/h10-12,15,19H,5-9H2,1-4H3.
What are the key properties of ethyl 2-(cyclopentylamino)-2-(2,5-dimethylphenyl)propanoate?
ethyl 2-(cyclopentylamino)-2-(2,5-dimethylphenyl)propanoate has a molecular weight of 289.42 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopentylamino)-2-(2,5-dimethylphenyl)propanoate is sourced from PubChem (CID 60998776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).