methyl 2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)propanoate

C16H26N2O2 — CID 61002978

IUPACmethyl 2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)propanoate
SMILESCOC(=O)C(C)(NCCN(C)C)c1ccc(C)cc1C
InChIInChI=1S/C16H26N2O2/c1-12-7-8-14(13(2)11-12)16(3,15(19)20-6)17-9-10-18(4)5/h7-8,11,17H,9-10H2,1-6H3
InChIKeyJKXAEPDEWDRLJY-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.84
Rot. Bonds6

About methyl 2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)propanoate

methyl 2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)propanoate (PubChem CID 61002978) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is methyl 2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)propanoate
PubChem CID61002978
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Namemethyl 2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)propanoate
SMILESCOC(=O)C(C)(NCCN(C)C)c1ccc(C)cc1C
InChIInChI=1S/C16H26N2O2/c1-12-7-8-14(13(2)11-12)16(3,15(19)20-6)17-9-10-18(4)5/h7-8,11,17H,9-10H2,1-6H3
InChIKeyJKXAEPDEWDRLJY-UHFFFAOYSA-N
XLogP1.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-(dimethylamino)ethylamino]-2-(2,5-dimethylphenyl)propanoate
CID 61002169
2-[2-(dimethylamino)ethylamino]-2-(2-methoxy-5-methylphenyl)propanamide
CID 60992003
methyl 2-(2,4-dichloro-5-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanoate
CID 61001178
2-[2-(dimethylamino)ethylamino]-2-(2,4,6-trimethylphenyl)propanamide
CID 60991164
methyl 2-(2,4-dimethylphenyl)-2-fluoropropanoate
CID 105464025
ethyl 2-(2,5-dimethylphenyl)-2-(2-methoxyethylamino)propanoate
CID 62541176
2-(2-azidoethylamino)-2-(2,4-dimethylphenyl)propanoic acid
CID 66188813
ethyl 2-[2-(dimethylamino)ethylamino]-2-(3-methoxyphenyl)propanoate
CID 61001179
2-[2-(diethylamino)ethylamino]-2-(2,5-dimethylphenyl)propanamide
CID 60995327
2-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide
CID 54891609
ethyl 2-[2-(dimethylamino)ethylamino]-2-(4-hydroxyphenyl)propanoate
CID 61001287
methyl 2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate
CID 62214661

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)propanoate?
The IUPAC name of methyl 2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)propanoate (CID 61002978) is methyl 2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)propanoate.
What is the SMILES notation for methyl 2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)propanoate?
The canonical SMILES for methyl 2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)propanoate is COC(=O)C(C)(NCCN(C)C)c1ccc(C)cc1C.
What is the InChIKey of methyl 2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)propanoate?
The InChIKey is JKXAEPDEWDRLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12-7-8-14(13(2)11-12)16(3,15(19)20-6)17-9-10-18(4)5/h7-8,11,17H,9-10H2,1-6H3.
What are the key properties of methyl 2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)propanoate?
methyl 2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)propanoate has a molecular weight of 278.40 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)propanoate is sourced from PubChem (CID 61002978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).