2-[(2-methoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide

C14H22N2O2 — CID 78815655

IUPAC2-[(2-methoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide
SMILESCOc1ccccc1CN(C)C(C)C(=O)N(C)C
InChIInChI=1S/C14H22N2O2/c1-11(14(17)15(2)3)16(4)10-12-8-6-7-9-13(12)18-5/h6-9,11H,10H2,1-5H3
InChIKeyDIVIIMCILOTPFL-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.60
Rot. Bonds5

About 2-[(2-methoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide

2-[(2-methoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide (PubChem CID 78815655) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide
PubChem CID78815655
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[(2-methoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide
SMILESCOc1ccccc1CN(C)C(C)C(=O)N(C)C
InChIInChI=1S/C14H22N2O2/c1-11(14(17)15(2)3)16(4)10-12-8-6-7-9-13(12)18-5/h6-9,11H,10H2,1-5H3
InChIKeyDIVIIMCILOTPFL-UHFFFAOYSA-N
XLogP1.60
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methoxyphenyl)methyl-methylamino]ethanol
CID 67668408
(2S)-2-[(2-methoxyphenyl)methyl-methylamino]-N-prop-2-enylpropanamide
CID 94015388
(2S)-2-[(2-methoxyphenyl)methyl-methylamino]-4-methylpentanoic acid
CID 70067664
2-[(2-methoxyphenyl)methyl-methylamino]propanenitrile
CID 60646378
3-[(2-methoxyphenyl)methyl-methylamino]-2-methylbutanehydrazide
CID 79408377
2-[(2-methoxyphenyl)methyl-methylamino]butanedioic acid
CID 115144426
(2S)-2-[(5-chloro-2,3-dimethoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide
CID 95126134
2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]propanoic acid
CID 62637971
(2S)-2-[(2-ethoxyphenyl)methyl-methylamino]propanoic acid
CID 92930759
3-[(2-methoxyphenyl)methyl-propan-2-ylamino]propanoic acid
CID 60833930
(2R)-2-(2-ethylphenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 92672742
N-(4-bromo-2-fluorophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]propanamide
CID 18094027

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(2-methoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide (CID 78815655) is 2-[(2-methoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide is COc1ccccc1CN(C)C(C)C(=O)N(C)C.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide?
The InChIKey is DIVIIMCILOTPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(14(17)15(2)3)16(4)10-12-8-6-7-9-13(12)18-5/h6-9,11H,10H2,1-5H3.
What are the key properties of 2-[(2-methoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide?
2-[(2-methoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 78815655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).