2-[2-(dimethylamino)ethylamino]-2-(2,4,6-trimethylphenyl)propanamide

C16H27N3O — CID 60991164

IUPAC2-[2-(dimethylamino)ethylamino]-2-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(C(C)(NCCN(C)C)C(N)=O)c(C)c1
InChIInChI=1S/C16H27N3O/c1-11-9-12(2)14(13(3)10-11)16(4,15(17)20)18-7-8-19(5)6/h9-10,18H,7-8H2,1-6H3,(H2,17,20)
InChIKeyPOFWFYTVJVGDED-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.46
Rot. Bonds6

About 2-[2-(dimethylamino)ethylamino]-2-(2,4,6-trimethylphenyl)propanamide

2-[2-(dimethylamino)ethylamino]-2-(2,4,6-trimethylphenyl)propanamide (PubChem CID 60991164) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-2-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-2-(2,4,6-trimethylphenyl)propanamide
PubChem CID60991164
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-[2-(dimethylamino)ethylamino]-2-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(C(C)(NCCN(C)C)C(N)=O)c(C)c1
InChIInChI=1S/C16H27N3O/c1-11-9-12(2)14(13(3)10-11)16(4,15(17)20)18-7-8-19(5)6/h9-10,18H,7-8H2,1-6H3,(H2,17,20)
InChIKeyPOFWFYTVJVGDED-UHFFFAOYSA-N
XLogP1.46
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-2-(2,4,6-trimethylphenyl)propanamide
CID 54889665
2-[2-(dimethylamino)ethylamino]-2-(2-methoxy-5-methylphenyl)propanamide
CID 60992003
2-(5-bromofuran-2-yl)-2-[2-(dimethylamino)ethylamino]propanamide
CID 104653361
2-[2-(dimethylamino)ethylamino]-2-[4-(dimethylamino)phenyl]propanamide
CID 60995360
2-(4-bromophenyl)-2-[2-(dimethylamino)ethylamino]propanamide
CID 54891318
2-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide
CID 54891609
methyl 2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)propanoate
CID 61002978
ethyl 2-[2-(dimethylamino)ethylamino]-2-(2,5-dimethylphenyl)propanoate
CID 61002169
2-(3-chloro-4-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide
CID 54891418
2-[2-(dimethylamino)ethylamino]-2-(3-methoxyphenyl)propanamide
CID 54891175
2-(5-bromo-2-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide
CID 82967482
2-[2-(diethylamino)ethylamino]-2-(2,5-dimethylphenyl)propanamide
CID 60995327

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-2-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-2-(2,4,6-trimethylphenyl)propanamide (CID 60991164) is 2-[2-(dimethylamino)ethylamino]-2-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-2-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-2-(2,4,6-trimethylphenyl)propanamide is Cc1cc(C)c(C(C)(NCCN(C)C)C(N)=O)c(C)c1.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-2-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is POFWFYTVJVGDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-11-9-12(2)14(13(3)10-11)16(4,15(17)20)18-7-8-19(5)6/h9-10,18H,7-8H2,1-6H3,(H2,17,20).
What are the key properties of 2-[2-(dimethylamino)ethylamino]-2-(2,4,6-trimethylphenyl)propanamide?
2-[2-(dimethylamino)ethylamino]-2-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 277.41 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-2-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 60991164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).