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

C16H26N2O — CID 55353682

IUPAC2-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)acetamide
SMILESCCCCN(C)CC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-5-6-11-18(4)12-16(19)17-15-9-7-14(8-10-15)13(2)3/h7-10,13H,5-6,11-12H2,1-4H3,(H,17,19)
InChIKeyDFJCRYJSSYMHLT-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.48
Rot. Bonds7

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

2-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 55353682) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID55353682
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)acetamide
SMILESCCCCN(C)CC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-5-6-11-18(4)12-16(19)17-15-9-7-14(8-10-15)13(2)3/h7-10,13H,5-6,11-12H2,1-4H3,(H,17,19)
InChIKeyDFJCRYJSSYMHLT-UHFFFAOYSA-N
XLogP3.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 108795261
2-[2-aminoethyl(methyl)amino]-N-(4-propan-2-ylphenyl)acetamide
CID 62688099
2-[(4-fluorophenyl)methyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 9251924
N-butyl-N,2,2-trimethyl-N'-(4-propan-2-ylphenyl)propanediamide
CID 108966504
2-[1-hydroxypropan-2-yl(methyl)amino]-N-(4-propan-2-ylphenyl)acetamide
CID 115772236
2-[butyl(methyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 109006153
1-butyl-1-ethyl-3-(4-propan-2-ylphenyl)urea
CID 112824402
2-[butyl(methyl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109006156
N-(3-acetamidophenyl)-2-[butyl(methyl)amino]acetamide
CID 27068519
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 31380806
N-(4-bromo-3-methylphenyl)-2-[butyl(methyl)amino]acetamide
CID 109006163
2-[butyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 31477725

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)acetamide (CID 55353682) is 2-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)acetamide is CCCCN(C)CC(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 2-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is DFJCRYJSSYMHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-6-11-18(4)12-16(19)17-15-9-7-14(8-10-15)13(2)3/h7-10,13H,5-6,11-12H2,1-4H3,(H,17,19).
What are the key properties of 2-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)acetamide?
2-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 262.40 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 55353682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).