3-[1-(4-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide

C14H22N2O2 — CID 54934759

IUPAC3-[1-(4-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide
SMILESCOc1ccc(C(C)NCCC(=O)N(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-11(15-10-9-14(17)16(2)3)12-5-7-13(18-4)8-6-12/h5-8,11,15H,9-10H2,1-4H3
InChIKeyJWRHJCUMABURPK-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.82
Rot. Bonds6

About 3-[1-(4-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide

3-[1-(4-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide (PubChem CID 54934759) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-[1-(4-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[1-(4-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide
PubChem CID54934759
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-[1-(4-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide
SMILESCOc1ccc(C(C)NCCC(=O)N(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-11(15-10-9-14(17)16(2)3)12-5-7-13(18-4)8-6-12/h5-8,11,15H,9-10H2,1-4H3
InChIKeyJWRHJCUMABURPK-UHFFFAOYSA-N
XLogP1.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]amino]-N,N-dimethylpropanamide
CID 129372522
3-[1-(3-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 54934760
3-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 54935284
3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propanoic acid
CID 81371134
3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N,N-dimethylpropanamide
CID 81348231
3-[[(1S)-1-(2-bromo-4-methoxyphenyl)ethyl]amino]-N,N-dimethylpropanamide
CID 97336153
N,N-dimethyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]propanamide
CID 60926719
N,N-dimethyl-3-[1-(4-methylsulfonylphenyl)ethylamino]propanamide
CID 60925806
3-[1-(4-cyanophenyl)ethylamino]-N,N-dimethylpropanamide
CID 54934619
N-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)ethylamino]propanamide
CID 115712008
4-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-N,N-dimethylbutanamide
CID 81372994
N,N-dimethyl-4-[[(1R)-1-(4-methylphenyl)ethyl]amino]butanamide
CID 81356992

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[1-(4-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide (CID 54934759) is 3-[1-(4-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[1-(4-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[1-(4-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide is COc1ccc(C(C)NCCC(=O)N(C)C)cc1.
What is the InChIKey of 3-[1-(4-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide?
The InChIKey is JWRHJCUMABURPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(15-10-9-14(17)16(2)3)12-5-7-13(18-4)8-6-12/h5-8,11,15H,9-10H2,1-4H3.
What are the key properties of 3-[1-(4-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide?
3-[1-(4-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 54934759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).