2-[acetyl(cyclopentyl)amino]-N-[4-(dimethylamino)phenyl]acetamide

C17H25N3O2 — CID 113159358

IUPAC2-[acetyl(cyclopentyl)amino]-N-[4-(dimethylamino)phenyl]acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(N(C)C)cc1)C1CCCC1
InChIInChI=1S/C17H25N3O2/c1-13(21)20(16-6-4-5-7-16)12-17(22)18-14-8-10-15(11-9-14)19(2)3/h8-11,16H,4-7,12H2,1-3H3,(H,18,22)
InChIKeyIYQACWSFQJJORW-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.48
Rot. Bonds5

About 2-[acetyl(cyclopentyl)amino]-N-[4-(dimethylamino)phenyl]acetamide

2-[acetyl(cyclopentyl)amino]-N-[4-(dimethylamino)phenyl]acetamide (PubChem CID 113159358) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[acetyl(cyclopentyl)amino]-N-[4-(dimethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-[acetyl(cyclopentyl)amino]-N-[4-(dimethylamino)phenyl]acetamide
PubChem CID113159358
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-[acetyl(cyclopentyl)amino]-N-[4-(dimethylamino)phenyl]acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(N(C)C)cc1)C1CCCC1
InChIInChI=1S/C17H25N3O2/c1-13(21)20(16-6-4-5-7-16)12-17(22)18-14-8-10-15(11-9-14)19(2)3/h8-11,16H,4-7,12H2,1-3H3,(H,18,22)
InChIKeyIYQACWSFQJJORW-UHFFFAOYSA-N
XLogP2.48
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[acetyl(cyclopentyl)amino]-N-(4-methylphenyl)acetamide
CID 113159299
2-[acetyl(cycloheptyl)amino]-N-(4-acetylphenyl)acetamide
CID 113166396
2-[acetyl(cyclopentyl)amino]-N-(4-ethylphenyl)acetamide
CID 113159310
2-[acetyl(cyclohexyl)amino]-N-(4-ethylphenyl)acetamide
CID 113159508
2-[acetyl(cycloheptyl)amino]-N-(4-ethylphenyl)acetamide
CID 113166356
N-[4-(dimethylamino)phenyl]-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide
CID 2095190
2-[acetyl(cyclohexyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 113159503
2-cyclopentyl-N-[4-(dimethylamino)phenyl]acetamide
CID 47097970
2-[acetyl(cyclopropyl)amino]-N-(4-bromophenyl)acetamide
CID 113158424
2-(dimethylamino)-N-[4-(dimethylamino)phenyl]acetamide
CID 18870888
1-cycloheptyl-1-[[(1S,3R)-3-[[cycloheptyl-[[4-(dimethylamino)phenyl]carbamoyl]amino]methyl]cyclohexyl]methyl]-3-[4-(dimethylamino)phenyl]urea
CID 70184924
2-[acetyl(cyclopentyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 113159345

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(cyclopentyl)amino]-N-[4-(dimethylamino)phenyl]acetamide?
The IUPAC name of 2-[acetyl(cyclopentyl)amino]-N-[4-(dimethylamino)phenyl]acetamide (CID 113159358) is 2-[acetyl(cyclopentyl)amino]-N-[4-(dimethylamino)phenyl]acetamide.
What is the SMILES notation for 2-[acetyl(cyclopentyl)amino]-N-[4-(dimethylamino)phenyl]acetamide?
The canonical SMILES for 2-[acetyl(cyclopentyl)amino]-N-[4-(dimethylamino)phenyl]acetamide is CC(=O)N(CC(=O)Nc1ccc(N(C)C)cc1)C1CCCC1.
What is the InChIKey of 2-[acetyl(cyclopentyl)amino]-N-[4-(dimethylamino)phenyl]acetamide?
The InChIKey is IYQACWSFQJJORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13(21)20(16-6-4-5-7-16)12-17(22)18-14-8-10-15(11-9-14)19(2)3/h8-11,16H,4-7,12H2,1-3H3,(H,18,22).
What are the key properties of 2-[acetyl(cyclopentyl)amino]-N-[4-(dimethylamino)phenyl]acetamide?
2-[acetyl(cyclopentyl)amino]-N-[4-(dimethylamino)phenyl]acetamide has a molecular weight of 303.41 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(cyclopentyl)amino]-N-[4-(dimethylamino)phenyl]acetamide is sourced from PubChem (CID 113159358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).