ethyl 2-[2-(dimethylamino)ethylamino]-2-(2,5-dimethylphenyl)propanoate

C17H28N2O2 — CID 61002169

IUPACethyl 2-[2-(dimethylamino)ethylamino]-2-(2,5-dimethylphenyl)propanoate
SMILESCCOC(=O)C(C)(NCCN(C)C)c1cc(C)ccc1C
InChIInChI=1S/C17H28N2O2/c1-7-21-16(20)17(4,18-10-11-19(5)6)15-12-13(2)8-9-14(15)3/h8-9,12,18H,7,10-11H2,1-6H3
InChIKeyVQOWVKCMZAXKNP-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.23
Rot. Bonds7

About ethyl 2-[2-(dimethylamino)ethylamino]-2-(2,5-dimethylphenyl)propanoate

ethyl 2-[2-(dimethylamino)ethylamino]-2-(2,5-dimethylphenyl)propanoate (PubChem CID 61002169) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is ethyl 2-[2-(dimethylamino)ethylamino]-2-(2,5-dimethylphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-[2-(dimethylamino)ethylamino]-2-(2,5-dimethylphenyl)propanoate
PubChem CID61002169
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Nameethyl 2-[2-(dimethylamino)ethylamino]-2-(2,5-dimethylphenyl)propanoate
SMILESCCOC(=O)C(C)(NCCN(C)C)c1cc(C)ccc1C
InChIInChI=1S/C17H28N2O2/c1-7-21-16(20)17(4,18-10-11-19(5)6)15-12-13(2)8-9-14(15)3/h8-9,12,18H,7,10-11H2,1-6H3
InChIKeyVQOWVKCMZAXKNP-UHFFFAOYSA-N
XLogP2.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[2-(dimethylamino)ethylamino]-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

methyl 2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)propanoate
CID 61002978
ethyl 2-(2,5-dimethylphenyl)-2-(2-methoxyethylamino)propanoate
CID 62541176
ethyl 2-(2,5-dimethylphenyl)-2-(prop-2-ynylamino)propanoate
CID 55063389
ethyl 2-(cyclopropylmethylamino)-2-(2,5-dimethylphenyl)propanoate
CID 61001487
ethyl 2-[2-(dimethylamino)ethylamino]-2-(4-hydroxyphenyl)propanoate
CID 61001287
ethyl 2-[2-(dimethylamino)ethylamino]-2-(3-hydroxyphenyl)propanoate
CID 61001416
2-[2-(dimethylamino)ethylamino]-2-(2-methoxy-5-methylphenyl)propanamide
CID 60992003
2-[2-(diethylamino)ethylamino]-2-(2,5-dimethylphenyl)propanamide
CID 60995327
ethyl 2-[2-(dimethylamino)ethylamino]-2-(3-methoxyphenyl)propanoate
CID 61001179
ethyl 2-(cyclopentylamino)-2-(2,5-dimethylphenyl)propanoate
CID 60998776
ethyl 2-(2,5-dimethylphenyl)-2-methylpropanoate
CID 62550626
2-[2-(dimethylamino)ethylamino]-2-(2,4,6-trimethylphenyl)propanamide
CID 60991164

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(dimethylamino)ethylamino]-2-(2,5-dimethylphenyl)propanoate?
The IUPAC name of ethyl 2-[2-(dimethylamino)ethylamino]-2-(2,5-dimethylphenyl)propanoate (CID 61002169) is ethyl 2-[2-(dimethylamino)ethylamino]-2-(2,5-dimethylphenyl)propanoate.
What is the SMILES notation for ethyl 2-[2-(dimethylamino)ethylamino]-2-(2,5-dimethylphenyl)propanoate?
The canonical SMILES for ethyl 2-[2-(dimethylamino)ethylamino]-2-(2,5-dimethylphenyl)propanoate is CCOC(=O)C(C)(NCCN(C)C)c1cc(C)ccc1C.
What is the InChIKey of ethyl 2-[2-(dimethylamino)ethylamino]-2-(2,5-dimethylphenyl)propanoate?
The InChIKey is VQOWVKCMZAXKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-7-21-16(20)17(4,18-10-11-19(5)6)15-12-13(2)8-9-14(15)3/h8-9,12,18H,7,10-11H2,1-6H3.
What are the key properties of ethyl 2-[2-(dimethylamino)ethylamino]-2-(2,5-dimethylphenyl)propanoate?
ethyl 2-[2-(dimethylamino)ethylamino]-2-(2,5-dimethylphenyl)propanoate has a molecular weight of 292.42 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(dimethylamino)ethylamino]-2-(2,5-dimethylphenyl)propanoate is sourced from PubChem (CID 61002169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).