3-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)propanamide

C17H28N2O — CID 108795261

IUPAC3-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)propanamide
SMILESCCCCN(C)CCC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-5-6-12-19(4)13-11-17(20)18-16-9-7-15(8-10-16)14(2)3/h7-10,14H,5-6,11-13H2,1-4H3,(H,18,20)
InChIKeyQVJSUFBIBNWUNH-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.87
Rot. Bonds8

About 3-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)propanamide

3-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 108795261) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)propanamide
PubChem CID108795261
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)propanamide
SMILESCCCCN(C)CCC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-5-6-12-19(4)13-11-17(20)18-16-9-7-15(8-10-16)14(2)3/h7-10,14H,5-6,11-13H2,1-4H3,(H,18,20)
InChIKeyQVJSUFBIBNWUNH-UHFFFAOYSA-N
XLogP3.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)acetamide
CID 55353682
3-[butyl(methyl)amino]-N-(4-iodophenyl)propanamide
CID 108795422
3-[butyl(methyl)amino]-N-(4-methylphenyl)propanamide;oxalic acid
CID 171154464
3-[butyl(methyl)amino]-N-(4-fluorophenyl)propanamide;oxalic acid
CID 171154590
3-[heptyl(methyl)amino]-N-[4-[[4-[3-[heptyl(methyl)amino]propanoylamino]phenyl]methyl]phenyl]propanamide
CID 139954498
N-butyl-N,2,2-trimethyl-N'-(4-propan-2-ylphenyl)propanediamide
CID 108966504
3-[butyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide
CID 2167939
1-butyl-1-ethyl-3-(4-propan-2-ylphenyl)urea
CID 112824402
3-[butyl(methyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide
CID 108795373
N-(3-bromo-4-methylphenyl)-3-[butyl(methyl)amino]propanamide
CID 109032458
N-(4-aminophenyl)-3-(dibutylamino)propanamide
CID 28982366
N-(3-amino-4-fluorophenyl)-3-[butyl(methyl)amino]propanamide
CID 18071143

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)propanamide (CID 108795261) is 3-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)propanamide is CCCCN(C)CCC(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 3-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is QVJSUFBIBNWUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-6-12-19(4)13-11-17(20)18-16-9-7-15(8-10-16)14(2)3/h7-10,14H,5-6,11-13H2,1-4H3,(H,18,20).
What are the key properties of 3-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)propanamide?
3-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 276.42 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 108795261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).