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

C14H22N2O2 — CID 54934760

IUPAC3-[1-(3-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide
SMILESCOc1cccc(C(C)NCCC(=O)N(C)C)c1
InChIInChI=1S/C14H22N2O2/c1-11(15-9-8-14(17)16(2)3)12-6-5-7-13(10-12)18-4/h5-7,10-11,15H,8-9H2,1-4H3
InChIKeyMFXOJKIQAQBVKC-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.82
Rot. Bonds6

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

3-[1-(3-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide (PubChem CID 54934760) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-[1-(3-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[1-(3-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide
PubChem CID54934760
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-[1-(3-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide
SMILESCOc1cccc(C(C)NCCC(=O)N(C)C)c1
InChIInChI=1S/C14H22N2O2/c1-11(15-9-8-14(17)16(2)3)12-6-5-7-13(10-12)18-4/h5-7,10-11,15H,8-9H2,1-4H3
InChIKeyMFXOJKIQAQBVKC-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

4-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-N,N-dimethylbutanamide
CID 81372994
3-[1-(4-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 54934759
N-tert-butyl-3-[1-(3-methoxyphenyl)ethylamino]propanamide
CID 115676858
4-[1-(3-methoxyphenyl)ethylamino]butanoic acid
CID 54920471
3-[[(1S)-1-(2-bromo-4-methoxyphenyl)ethyl]amino]-N,N-dimethylpropanamide
CID 97336153
3-[3-[1-(ethylamino)ethyl]phenoxy]-N,N-dimethylpropanamide
CID 54879287
2-[1-(3-methoxyphenyl)ethylamino]ethyl carbamate
CID 83210619
N-[1-(3-methoxyphenyl)ethyl]-3-methylbutan-1-amine
CID 43193047
N'-butan-2-yl-N-[1-(3-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 103729552
3-[1-(3-methoxyphenyl)ethylamino]propane-1-sulfinic acid
CID 143275367
N'-(2-methoxyethyl)-N-[1-(3-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 55126860
1-N-[1-(3-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913145

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[1-(3-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide (CID 54934760) is 3-[1-(3-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[1-(3-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[1-(3-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide is COc1cccc(C(C)NCCC(=O)N(C)C)c1.
What is the InChIKey of 3-[1-(3-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide?
The InChIKey is MFXOJKIQAQBVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(15-9-8-14(17)16(2)3)12-6-5-7-13(10-12)18-4/h5-7,10-11,15H,8-9H2,1-4H3.
What are the key properties of 3-[1-(3-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide?
3-[1-(3-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-(3-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 54934760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).