2-[2-(diethylamino)ethylamino]-2-(2,5-dimethylphenyl)propanamide

C17H29N3O — CID 60995327

IUPAC2-[2-(diethylamino)ethylamino]-2-(2,5-dimethylphenyl)propanamide
SMILESCCN(CC)CCNC(C)(C(N)=O)c1cc(C)ccc1C
InChIInChI=1S/C17H29N3O/c1-6-20(7-2)11-10-19-17(5,16(18)21)15-12-13(3)8-9-14(15)4/h8-9,12,19H,6-7,10-11H2,1-5H3,(H2,18,21)
InChIKeyIFFOHTPXJYJJQH-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.94
Rot. Bonds8

About 2-[2-(diethylamino)ethylamino]-2-(2,5-dimethylphenyl)propanamide

2-[2-(diethylamino)ethylamino]-2-(2,5-dimethylphenyl)propanamide (PubChem CID 60995327) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]-2-(2,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]-2-(2,5-dimethylphenyl)propanamide
PubChem CID60995327
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-[2-(diethylamino)ethylamino]-2-(2,5-dimethylphenyl)propanamide
SMILESCCN(CC)CCNC(C)(C(N)=O)c1cc(C)ccc1C
InChIInChI=1S/C17H29N3O/c1-6-20(7-2)11-10-19-17(5,16(18)21)15-12-13(3)8-9-14(15)4/h8-9,12,19H,6-7,10-11H2,1-5H3,(H2,18,21)
InChIKeyIFFOHTPXJYJJQH-UHFFFAOYSA-N
XLogP1.94
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)propanamide
CID 60995482
2-(5-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]propanamide
CID 82953788
2-[2-(diethylamino)ethylamino]-2-(2-methoxyphenyl)propanamide
CID 60995329
2-(butan-2-ylamino)-2-(2,5-dimethylphenyl)propanamide
CID 54908499
ethyl 2-[2-(dimethylamino)ethylamino]-2-(2,5-dimethylphenyl)propanoate
CID 61002169
2-[2-(dimethylamino)ethylamino]-2-(2-methoxy-5-methylphenyl)propanamide
CID 60992003
2-[2-(diethylamino)ethylamino]-2-(4-ethylphenyl)propanamide
CID 60995324
2-[2-(diethylamino)ethylamino]-2-(4-methylphenyl)propanoic acid
CID 60994645
2-[2-(dimethylamino)ethylamino]-2-(2,4,6-trimethylphenyl)propanamide
CID 60991164
ethyl 2-(2,5-dimethylphenyl)-2-(2-methoxyethylamino)propanoate
CID 62541176
3-(2,5-dimethylphenyl)-3-(propylamino)butanamide
CID 65235843
methyl 2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)propanoate
CID 61002978

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylamino]-2-(2,5-dimethylphenyl)propanamide?
The IUPAC name of 2-[2-(diethylamino)ethylamino]-2-(2,5-dimethylphenyl)propanamide (CID 60995327) is 2-[2-(diethylamino)ethylamino]-2-(2,5-dimethylphenyl)propanamide.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]-2-(2,5-dimethylphenyl)propanamide?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]-2-(2,5-dimethylphenyl)propanamide is CCN(CC)CCNC(C)(C(N)=O)c1cc(C)ccc1C.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]-2-(2,5-dimethylphenyl)propanamide?
The InChIKey is IFFOHTPXJYJJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-6-20(7-2)11-10-19-17(5,16(18)21)15-12-13(3)8-9-14(15)4/h8-9,12,19H,6-7,10-11H2,1-5H3,(H2,18,21).
What are the key properties of 2-[2-(diethylamino)ethylamino]-2-(2,5-dimethylphenyl)propanamide?
2-[2-(diethylamino)ethylamino]-2-(2,5-dimethylphenyl)propanamide has a molecular weight of 291.44 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylamino]-2-(2,5-dimethylphenyl)propanamide is sourced from PubChem (CID 60995327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).