2-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]acetamide

C15H23N3O2 — CID 78804891

IUPAC2-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)NCCCN(C)C)cc1
InChIInChI=1S/C15H23N3O2/c1-12(19)17-14-7-5-13(6-8-14)11-15(20)16-9-4-10-18(2)3/h5-8H,4,9-11H2,1-3H3,(H,16,20)(H,17,19)
InChIKeyKDSJHYVDCMSSRQ-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.26
Rot. Bonds7

About 2-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]acetamide

2-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]acetamide (PubChem CID 78804891) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]acetamide
PubChem CID78804891
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)NCCCN(C)C)cc1
InChIInChI=1S/C15H23N3O2/c1-12(19)17-14-7-5-13(6-8-14)11-15(20)16-9-4-10-18(2)3/h5-8H,4,9-11H2,1-3H3,(H,16,20)(H,17,19)
InChIKeyKDSJHYVDCMSSRQ-UHFFFAOYSA-N
XLogP1.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]propanediamide
CID 108944268
N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)acetamide
CID 4080384
2-(4-acetamidophenyl)-N-(2-hydroxyethyl)acetamide
CID 11287807
2-(4-acetamidophenyl)-N-(3-aminopropyl)acetamide
CID 108792677
2-(4-acetamidophenyl)-N-[2-(diethylamino)ethyl]acetamide
CID 108792640
2-(4-acetamidophenyl)-N-(6-aminohexyl)acetamide
CID 108792623
2-(4-acetamidophenyl)-N-(3-phenylpropyl)acetamide
CID 27647223
2-(4-acetamidophenyl)-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 9481055
2-(4-acetamidophenyl)-N-(3-cyclopentylpropyl)acetamide
CID 38857062
2-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 108995310
5-N-(4-acetamidophenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109104366
2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
CID 109253432

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]acetamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]acetamide (CID 78804891) is 2-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]acetamide is CC(=O)Nc1ccc(CC(=O)NCCCN(C)C)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]acetamide?
The InChIKey is KDSJHYVDCMSSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-12(19)17-14-7-5-13(6-8-14)11-15(20)16-9-4-10-18(2)3/h5-8H,4,9-11H2,1-3H3,(H,16,20)(H,17,19).
What are the key properties of 2-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]acetamide?
2-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]acetamide has a molecular weight of 277.37 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]acetamide is sourced from PubChem (CID 78804891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).