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

C17H25NO2 — CID 61001487

IUPACethyl 2-(cyclopropylmethylamino)-2-(2,5-dimethylphenyl)propanoate
SMILESCCOC(=O)C(C)(NCC1CC1)c1cc(C)ccc1C
InChIInChI=1S/C17H25NO2/c1-5-20-16(19)17(4,18-11-14-8-9-14)15-10-12(2)6-7-13(15)3/h6-7,10,14,18H,5,8-9,11H2,1-4H3
InChIKeyQAUBQFJYJSOESR-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.08
Rot. Bonds6

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

ethyl 2-(cyclopropylmethylamino)-2-(2,5-dimethylphenyl)propanoate (PubChem CID 61001487) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is ethyl 2-(cyclopropylmethylamino)-2-(2,5-dimethylphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylmethylamino)-2-(2,5-dimethylphenyl)propanoate
PubChem CID61001487
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Nameethyl 2-(cyclopropylmethylamino)-2-(2,5-dimethylphenyl)propanoate
SMILESCCOC(=O)C(C)(NCC1CC1)c1cc(C)ccc1C
InChIInChI=1S/C17H25NO2/c1-5-20-16(19)17(4,18-11-14-8-9-14)15-10-12(2)6-7-13(15)3/h6-7,10,14,18H,5,8-9,11H2,1-4H3
InChIKeyQAUBQFJYJSOESR-UHFFFAOYSA-N
XLogP3.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(cyclopropylmethylamino)-2-(2,5-dimethylphenyl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(cyclopentylamino)-2-(2,5-dimethylphenyl)propanoate
CID 60998776
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-(dimethylamino)ethylamino]-2-(2,5-dimethylphenyl)propanoate
CID 61002169
ethyl 2-(2,5-dimethylphenyl)-2-methylpropanoate
CID 62550626
ethyl 2-(1,3-benzodioxol-5-yl)-2-(cyclopropylmethylamino)propanoate
CID 61002101
ethyl 2-(cyclopropylamino)-2-(2-methoxy-5-methylphenyl)propanoate
CID 60796294
2-(cyclopropylmethylamino)-2-(2,4,6-trimethylphenyl)propanamide
CID 54889665
ethyl 2-(2-bromophenyl)-2-(oxolan-2-ylmethylamino)propanoate
CID 60993773
2-(cyclopropylmethylamino)-2-(2-methylphenyl)propanoic acid
CID 61001115
ethyl 2-(cyclopentylamino)-2-(2-methylphenyl)propanoate
CID 60999013
2-(cyclobutylmethylamino)-2-(3-methylphenyl)propanoic acid
CID 114989635

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylmethylamino)-2-(2,5-dimethylphenyl)propanoate?
The IUPAC name of ethyl 2-(cyclopropylmethylamino)-2-(2,5-dimethylphenyl)propanoate (CID 61001487) is ethyl 2-(cyclopropylmethylamino)-2-(2,5-dimethylphenyl)propanoate.
What is the SMILES notation for ethyl 2-(cyclopropylmethylamino)-2-(2,5-dimethylphenyl)propanoate?
The canonical SMILES for ethyl 2-(cyclopropylmethylamino)-2-(2,5-dimethylphenyl)propanoate is CCOC(=O)C(C)(NCC1CC1)c1cc(C)ccc1C.
What is the InChIKey of ethyl 2-(cyclopropylmethylamino)-2-(2,5-dimethylphenyl)propanoate?
The InChIKey is QAUBQFJYJSOESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-5-20-16(19)17(4,18-11-14-8-9-14)15-10-12(2)6-7-13(15)3/h6-7,10,14,18H,5,8-9,11H2,1-4H3.
What are the key properties of ethyl 2-(cyclopropylmethylamino)-2-(2,5-dimethylphenyl)propanoate?
ethyl 2-(cyclopropylmethylamino)-2-(2,5-dimethylphenyl)propanoate has a molecular weight of 275.39 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylmethylamino)-2-(2,5-dimethylphenyl)propanoate is sourced from PubChem (CID 61001487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).