2-(3,5-dimethylanilino)-N,N-diethylpropanamide

C15H24N2O — CID 43113083

IUPAC2-(3,5-dimethylanilino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Nc1cc(C)cc(C)c1
InChIInChI=1S/C15H24N2O/c1-6-17(7-2)15(18)13(5)16-14-9-11(3)8-12(4)10-14/h8-10,13,16H,6-7H2,1-5H3
InChIKeyWWMFKKQEALKOAV-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.97
Rot. Bonds5

About 2-(3,5-dimethylanilino)-N,N-diethylpropanamide

2-(3,5-dimethylanilino)-N,N-diethylpropanamide (PubChem CID 43113083) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(3,5-dimethylanilino)-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-(3,5-dimethylanilino)-N,N-diethylpropanamide
PubChem CID43113083
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(3,5-dimethylanilino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Nc1cc(C)cc(C)c1
InChIInChI=1S/C15H24N2O/c1-6-17(7-2)15(18)13(5)16-14-9-11(3)8-12(4)10-14/h8-10,13,16H,6-7H2,1-5H3
InChIKeyWWMFKKQEALKOAV-UHFFFAOYSA-N
XLogP2.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-amino-3-methylanilino)-N,N-diethylpropanamide
CID 113408308
2-(3,4-dichloroanilino)-N,N-diethylpropanamide
CID 23317113
2-(3,5-dimethylanilino)-N-ethylpropanamide
CID 43086091
2-(3,5-dimethylanilino)-N-propylpropanamide
CID 43087041
N,N-diethyl-2-(4-methoxyanilino)propanamide
CID 43112882
N-ethyl-N-methyl-2-(3-methyl-5-nitroanilino)propanamide
CID 103111339
N,N-diethyl-2-(3-methoxyanilino)propanamide
CID 43112833
2-[(2-chloro-4-pyridinyl)amino]-N,N-diethylpropanamide
CID 102824371
2-(3,5-dimethylanilino)-N-propan-2-ylpropanamide
CID 43084818
(2R)-2-(3,5-dimethylphenoxy)-N,N-diethylpropanamide
CID 9173438
N,N-diethyl-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 43114034
2-[(4-amino-2-pyridinyl)amino]-N,N-diethylpropanamide
CID 113408299

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylanilino)-N,N-diethylpropanamide?
The IUPAC name of 2-(3,5-dimethylanilino)-N,N-diethylpropanamide (CID 43113083) is 2-(3,5-dimethylanilino)-N,N-diethylpropanamide.
What is the SMILES notation for 2-(3,5-dimethylanilino)-N,N-diethylpropanamide?
The canonical SMILES for 2-(3,5-dimethylanilino)-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)Nc1cc(C)cc(C)c1.
What is the InChIKey of 2-(3,5-dimethylanilino)-N,N-diethylpropanamide?
The InChIKey is WWMFKKQEALKOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-6-17(7-2)15(18)13(5)16-14-9-11(3)8-12(4)10-14/h8-10,13,16H,6-7H2,1-5H3.
What are the key properties of 2-(3,5-dimethylanilino)-N,N-diethylpropanamide?
2-(3,5-dimethylanilino)-N,N-diethylpropanamide has a molecular weight of 248.37 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylanilino)-N,N-diethylpropanamide is sourced from PubChem (CID 43113083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).