2-[(4-methoxy-3-methylphenyl)methylamino]-N,N-dimethylpropanamide

C14H22N2O2 — CID 43778166

IUPAC2-[(4-methoxy-3-methylphenyl)methylamino]-N,N-dimethylpropanamide
SMILESCOc1ccc(CNC(C)C(=O)N(C)C)cc1C
InChIInChI=1S/C14H22N2O2/c1-10-8-12(6-7-13(10)18-5)9-15-11(2)14(17)16(3)4/h6-8,11,15H,9H2,1-5H3
InChIKeyAMQZSTDVNKBJTE-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.57
Rot. Bonds5

About 2-[(4-methoxy-3-methylphenyl)methylamino]-N,N-dimethylpropanamide

2-[(4-methoxy-3-methylphenyl)methylamino]-N,N-dimethylpropanamide (PubChem CID 43778166) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[(4-methoxy-3-methylphenyl)methylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(4-methoxy-3-methylphenyl)methylamino]-N,N-dimethylpropanamide
PubChem CID43778166
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[(4-methoxy-3-methylphenyl)methylamino]-N,N-dimethylpropanamide
SMILESCOc1ccc(CNC(C)C(=O)N(C)C)cc1C
InChIInChI=1S/C14H22N2O2/c1-10-8-12(6-7-13(10)18-5)9-15-11(2)14(17)16(3)4/h6-8,11,15H,9H2,1-5H3
InChIKeyAMQZSTDVNKBJTE-UHFFFAOYSA-N
XLogP1.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-[(4-methoxy-3-methylphenyl)methylamino]-N-methylpropanamide
CID 103107281
N,N-diethyl-2-[(4-methoxy-3-methylphenyl)methylamino]propanamide
CID 43789807
2-[(4-hydroxy-3-methoxyphenyl)methylamino]-N,N-dimethylpropanamide
CID 43573898
2-[[3-(N'-hydroxycarbamimidoyl)-4-methoxyphenyl]methylamino]-N,N-dimethylpropanamide
CID 77066010
2-(4-methoxy-3-methylanilino)-N,N-dimethylpropanamide
CID 54964418
2-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945293
2-[(4-methoxy-3-methylphenyl)methylamino]propan-1-ol
CID 43776404
2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-N,N-dimethylpropanamide
CID 43622919
2-[(3,5-dimethylphenyl)methylamino]-N,N-dimethylpropanamide
CID 54983664
2-hydroxy-N-[2-(4-methoxy-3-methylphenyl)ethyl]-N-methylpropanamide
CID 115141022
2-[(3-bromo-4-methoxyphenyl)methylamino]-N,N-diethylpropanamide
CID 43789766
2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N,N-dimethylpropanamide
CID 107685376

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3-methylphenyl)methylamino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(4-methoxy-3-methylphenyl)methylamino]-N,N-dimethylpropanamide (CID 43778166) is 2-[(4-methoxy-3-methylphenyl)methylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(4-methoxy-3-methylphenyl)methylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(4-methoxy-3-methylphenyl)methylamino]-N,N-dimethylpropanamide is COc1ccc(CNC(C)C(=O)N(C)C)cc1C.
What is the InChIKey of 2-[(4-methoxy-3-methylphenyl)methylamino]-N,N-dimethylpropanamide?
The InChIKey is AMQZSTDVNKBJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-8-12(6-7-13(10)18-5)9-15-11(2)14(17)16(3)4/h6-8,11,15H,9H2,1-5H3.
What are the key properties of 2-[(4-methoxy-3-methylphenyl)methylamino]-N,N-dimethylpropanamide?
2-[(4-methoxy-3-methylphenyl)methylamino]-N,N-dimethylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3-methylphenyl)methylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 43778166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).