3-[butyl(methyl)amino]-N-[3-(dimethylamino)phenyl]propanamide

C16H27N3O — CID 108795391

IUPAC3-[butyl(methyl)amino]-N-[3-(dimethylamino)phenyl]propanamide
SMILESCCCCN(C)CCC(=O)Nc1cccc(N(C)C)c1
InChIInChI=1S/C16H27N3O/c1-5-6-11-19(4)12-10-16(20)17-14-8-7-9-15(13-14)18(2)3/h7-9,13H,5-6,10-12H2,1-4H3,(H,17,20)
InChIKeyDOWJLMPBAAEWCJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.81
Rot. Bonds8

About 3-[butyl(methyl)amino]-N-[3-(dimethylamino)phenyl]propanamide

3-[butyl(methyl)amino]-N-[3-(dimethylamino)phenyl]propanamide (PubChem CID 108795391) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-[butyl(methyl)amino]-N-[3-(dimethylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-[butyl(methyl)amino]-N-[3-(dimethylamino)phenyl]propanamide
PubChem CID108795391
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name3-[butyl(methyl)amino]-N-[3-(dimethylamino)phenyl]propanamide
SMILESCCCCN(C)CCC(=O)Nc1cccc(N(C)C)c1
InChIInChI=1S/C16H27N3O/c1-5-6-11-19(4)12-10-16(20)17-14-8-7-9-15(13-14)18(2)3/h7-9,13H,5-6,10-12H2,1-4H3,(H,17,20)
InChIKeyDOWJLMPBAAEWCJ-UHFFFAOYSA-N
XLogP2.81
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl(undecyl)amino]-N-[3-[[3-[3-[methyl(undecyl)amino]propanoylamino]phenyl]methyl]phenyl]propanamide
CID 139955149
ethyl 4-[3-(dimethylamino)anilino]-4-oxobutanoate
CID 78910863
N-(3-acetamidophenyl)-2-[butyl(methyl)amino]acetamide
CID 27068519
3-[butyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide
CID 2167939
methyl 4-[3-(dimethylamino)anilino]-4-oxobutanoate
CID 108797566
4-[methyl(nonyl)amino]-N-[3-[[3-[4-[methyl(nonyl)amino]butanoylamino]phenyl]methyl]phenyl]butanamide
CID 139954348
N-(3-bromo-4-methylphenyl)-3-[butyl(methyl)amino]propanamide
CID 109032458
3-[butyl(methyl)amino]-N-(4-iodophenyl)propanamide
CID 108795422
N-[3-[ethyl(methyl)amino]phenyl]butanamide
CID 91181927
N-(3-amino-4-fluorophenyl)-3-[butyl(methyl)amino]propanamide
CID 18071143
N-(4-bromo-3-methylphenyl)-3-[butyl(methyl)amino]propanamide;hydrochloride
CID 2902956
N'-[3-(dimethylamino)phenyl]-N-pentyloxamide
CID 108521710

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(methyl)amino]-N-[3-(dimethylamino)phenyl]propanamide?
The IUPAC name of 3-[butyl(methyl)amino]-N-[3-(dimethylamino)phenyl]propanamide (CID 108795391) is 3-[butyl(methyl)amino]-N-[3-(dimethylamino)phenyl]propanamide.
What is the SMILES notation for 3-[butyl(methyl)amino]-N-[3-(dimethylamino)phenyl]propanamide?
The canonical SMILES for 3-[butyl(methyl)amino]-N-[3-(dimethylamino)phenyl]propanamide is CCCCN(C)CCC(=O)Nc1cccc(N(C)C)c1.
What is the InChIKey of 3-[butyl(methyl)amino]-N-[3-(dimethylamino)phenyl]propanamide?
The InChIKey is DOWJLMPBAAEWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-6-11-19(4)12-10-16(20)17-14-8-7-9-15(13-14)18(2)3/h7-9,13H,5-6,10-12H2,1-4H3,(H,17,20).
What are the key properties of 3-[butyl(methyl)amino]-N-[3-(dimethylamino)phenyl]propanamide?
3-[butyl(methyl)amino]-N-[3-(dimethylamino)phenyl]propanamide has a molecular weight of 277.41 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(methyl)amino]-N-[3-(dimethylamino)phenyl]propanamide is sourced from PubChem (CID 108795391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).