2-[(3,5-dimethylphenyl)methylamino]-N,N-dimethylpropanamide

C14H22N2O — CID 54983664

IUPAC2-[(3,5-dimethylphenyl)methylamino]-N,N-dimethylpropanamide
SMILESCc1cc(C)cc(CNC(C)C(=O)N(C)C)c1
InChIInChI=1S/C14H22N2O/c1-10-6-11(2)8-13(7-10)9-15-12(3)14(17)16(4)5/h6-8,12,15H,9H2,1-5H3
InChIKeyYHNJOKGQRAAABW-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.87
Rot. Bonds4

About 2-[(3,5-dimethylphenyl)methylamino]-N,N-dimethylpropanamide

2-[(3,5-dimethylphenyl)methylamino]-N,N-dimethylpropanamide (PubChem CID 54983664) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[(3,5-dimethylphenyl)methylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(3,5-dimethylphenyl)methylamino]-N,N-dimethylpropanamide
PubChem CID54983664
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[(3,5-dimethylphenyl)methylamino]-N,N-dimethylpropanamide
SMILESCc1cc(C)cc(CNC(C)C(=O)N(C)C)c1
InChIInChI=1S/C14H22N2O/c1-10-6-11(2)8-13(7-10)9-15-12(3)14(17)16(4)5/h6-8,12,15H,9H2,1-5H3
InChIKeyYHNJOKGQRAAABW-UHFFFAOYSA-N
XLogP1.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-methoxy-3-methylphenyl)methylamino]-N,N-dimethylpropanamide
CID 43778166
2-[(4-cyclopropylphenyl)methylamino]-N,N-dimethylpropanamide
CID 79979065
2-[(2-chloro-4-methylphenyl)methylamino]-N,N-dimethylpropanamide
CID 106862474
2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N,N-dimethylpropanamide
CID 107685376
2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-N,N-dimethylpropanamide
CID 43622919
2-[(4-hydroxy-3-methoxyphenyl)methylamino]-N,N-dimethylpropanamide
CID 43573898
N,N-dimethyl-2-[(2,4,5-trifluorophenyl)methylamino]propanamide
CID 103792586
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)-N,N-dimethylpropanamide
CID 60871279
N,N-dimethyl-2-[(4-propoxyphenyl)methylamino]propanamide
CID 43573853
N,N-dimethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide
CID 43573926
(2R)-N,N-dimethyl-2-[(5-methylfuran-2-yl)methylamino]propanamide
CID 93249413
N,N-dimethyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]propanamide
CID 43778128

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylphenyl)methylamino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(3,5-dimethylphenyl)methylamino]-N,N-dimethylpropanamide (CID 54983664) is 2-[(3,5-dimethylphenyl)methylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(3,5-dimethylphenyl)methylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(3,5-dimethylphenyl)methylamino]-N,N-dimethylpropanamide is Cc1cc(C)cc(CNC(C)C(=O)N(C)C)c1.
What is the InChIKey of 2-[(3,5-dimethylphenyl)methylamino]-N,N-dimethylpropanamide?
The InChIKey is YHNJOKGQRAAABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-6-11(2)8-13(7-10)9-15-12(3)14(17)16(4)5/h6-8,12,15H,9H2,1-5H3.
What are the key properties of 2-[(3,5-dimethylphenyl)methylamino]-N,N-dimethylpropanamide?
2-[(3,5-dimethylphenyl)methylamino]-N,N-dimethylpropanamide has a molecular weight of 234.34 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylphenyl)methylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 54983664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).