2-(4-acetamidophenyl)-N-(6-aminohexyl)acetamide

C16H25N3O2 — CID 108792623

IUPAC2-(4-acetamidophenyl)-N-(6-aminohexyl)acetamide
SMILESCC(=O)Nc1ccc(CC(=O)NCCCCCCN)cc1
InChIInChI=1S/C16H25N3O2/c1-13(20)19-15-8-6-14(7-9-15)12-16(21)18-11-5-3-2-4-10-17/h6-9H,2-5,10-12,17H2,1H3,(H,18,21)(H,19,20)
InChIKeySAMULQLBMXXQGX-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.82
Rot. Bonds9

About 2-(4-acetamidophenyl)-N-(6-aminohexyl)acetamide

2-(4-acetamidophenyl)-N-(6-aminohexyl)acetamide (PubChem CID 108792623) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-(6-aminohexyl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-(6-aminohexyl)acetamide
PubChem CID108792623
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-(4-acetamidophenyl)-N-(6-aminohexyl)acetamide
SMILESCC(=O)Nc1ccc(CC(=O)NCCCCCCN)cc1
InChIInChI=1S/C16H25N3O2/c1-13(20)19-15-8-6-14(7-9-15)12-16(21)18-11-5-3-2-4-10-17/h6-9H,2-5,10-12,17H2,1H3,(H,18,21)(H,19,20)
InChIKeySAMULQLBMXXQGX-UHFFFAOYSA-N
XLogP1.82
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-acetamidophenyl)-N-(3-aminopropyl)acetamide
CID 108792677
N-(4-aminobutyl)-2-(4-methylphenyl)acetamide
CID 60895939
2-(4-acetamidophenyl)-N-(2-hydroxyethyl)acetamide
CID 11287807
2-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]acetamide
CID 78804891
2-(4-acetamidophenyl)-N-(3-phenylpropyl)acetamide
CID 27647223
N-[(4-acetamidophenyl)methyl]-7-aminoheptanamide
CID 61260684
2-(4-acetamidophenyl)-N-(3-cyclopentylpropyl)acetamide
CID 38857062
2-(4-acetamidophenyl)-N-[4-(4-fluorophenoxy)butyl]acetamide
CID 42572371
N-[(4-acetamidophenyl)methyl]-4-aminobutanamide
CID 61260318
N-[(4-acetamidophenyl)methyl]-4-aminobutanamide;hydrochloride
CID 119277262
2-(4-acetamidophenyl)-N-[2-(diethylamino)ethyl]acetamide
CID 108792640
N-[4-[(2-aminoethylamino)methyl]phenyl]acetamide
CID 60887172

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-(6-aminohexyl)acetamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-(6-aminohexyl)acetamide (CID 108792623) is 2-(4-acetamidophenyl)-N-(6-aminohexyl)acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-(6-aminohexyl)acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-(6-aminohexyl)acetamide is CC(=O)Nc1ccc(CC(=O)NCCCCCCN)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-(6-aminohexyl)acetamide?
The InChIKey is SAMULQLBMXXQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13(20)19-15-8-6-14(7-9-15)12-16(21)18-11-5-3-2-4-10-17/h6-9H,2-5,10-12,17H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 2-(4-acetamidophenyl)-N-(6-aminohexyl)acetamide?
2-(4-acetamidophenyl)-N-(6-aminohexyl)acetamide has a molecular weight of 291.39 g/mol, XLogP of 1.82, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-(6-aminohexyl)acetamide is sourced from PubChem (CID 108792623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).