2-[acetyl(pentyl)amino]-N-(2,5-dimethylphenyl)acetamide

C17H26N2O2 — CID 113166745

IUPAC2-[acetyl(pentyl)amino]-N-(2,5-dimethylphenyl)acetamide
SMILESCCCCCN(CC(=O)Nc1cc(C)ccc1C)C(C)=O
InChIInChI=1S/C17H26N2O2/c1-5-6-7-10-19(15(4)20)12-17(21)18-16-11-13(2)8-9-14(16)3/h8-9,11H,5-7,10,12H2,1-4H3,(H,18,21)
InChIKeyUEKIHKIIZOATMK-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.28
Rot. Bonds7

About 2-[acetyl(pentyl)amino]-N-(2,5-dimethylphenyl)acetamide

2-[acetyl(pentyl)amino]-N-(2,5-dimethylphenyl)acetamide (PubChem CID 113166745) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[acetyl(pentyl)amino]-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(pentyl)amino]-N-(2,5-dimethylphenyl)acetamide
PubChem CID113166745
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[acetyl(pentyl)amino]-N-(2,5-dimethylphenyl)acetamide
SMILESCCCCCN(CC(=O)Nc1cc(C)ccc1C)C(C)=O
InChIInChI=1S/C17H26N2O2/c1-5-6-7-10-19(15(4)20)12-17(21)18-16-11-13(2)8-9-14(16)3/h8-9,11H,5-7,10,12H2,1-4H3,(H,18,21)
InChIKeyUEKIHKIIZOATMK-UHFFFAOYSA-N
XLogP3.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 113160861
2-[acetyl(pentyl)amino]-N-(4-bromo-2-methylphenyl)acetamide
CID 113166813
3-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-1-pentylurea
CID 111120344
2-[acetyl(butyl)amino]-N-(4-methylphenyl)acetamide
CID 113158704
2-[acetyl(pentyl)amino]-N-(2-bromophenyl)acetamide
CID 113166810
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 113162766
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 113164557
2-[acetyl(3-phenylpropyl)amino]-N-(2,4-dimethylphenyl)acetamide
CID 113165855
3-[butyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;hydrochloride
CID 2902080
2-[acetyl(3-methoxypropyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 113160122
2-(N-acetyl-2,4-dimethylanilino)-N-(2,5-dimethylphenyl)acetamide
CID 113167944
3-[[2-(2,5-dimethylanilino)-2-oxoethyl]-propylamino]propanoic acid
CID 82326667

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(pentyl)amino]-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[acetyl(pentyl)amino]-N-(2,5-dimethylphenyl)acetamide (CID 113166745) is 2-[acetyl(pentyl)amino]-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl(pentyl)amino]-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[acetyl(pentyl)amino]-N-(2,5-dimethylphenyl)acetamide is CCCCCN(CC(=O)Nc1cc(C)ccc1C)C(C)=O.
What is the InChIKey of 2-[acetyl(pentyl)amino]-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is UEKIHKIIZOATMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-5-6-7-10-19(15(4)20)12-17(21)18-16-11-13(2)8-9-14(16)3/h8-9,11H,5-7,10,12H2,1-4H3,(H,18,21).
What are the key properties of 2-[acetyl(pentyl)amino]-N-(2,5-dimethylphenyl)acetamide?
2-[acetyl(pentyl)amino]-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 290.41 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(pentyl)amino]-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 113166745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).