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

C14H22N2O — CID 4080384

IUPACN-[3-(dimethylamino)propyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCCCN(C)C)cc1
InChIInChI=1S/C14H22N2O/c1-12-5-7-13(8-6-12)11-14(17)15-9-4-10-16(2)3/h5-8H,4,9-11H2,1-3H3,(H,15,17)
InChIKeyQUOBJAVGNGJAQS-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.61
Rot. Bonds6

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

N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)acetamide (PubChem CID 4080384) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-(4-methylphenyl)acetamide
PubChem CID4080384
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[3-(dimethylamino)propyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCCCN(C)C)cc1
InChIInChI=1S/C14H22N2O/c1-12-5-7-13(8-6-12)11-14(17)15-9-4-10-16(2)3/h5-8H,4,9-11H2,1-3H3,(H,15,17)
InChIKeyQUOBJAVGNGJAQS-UHFFFAOYSA-N
XLogP1.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.61
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

N-[3-(dimethylamino)propyl]-3-(4-methylphenyl)propanamide
CID 110755343
2-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]acetamide
CID 78804891
N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-2-(4-methylphenyl)acetamide
CID 113066272
N-[3-(dimethylamino)propyl]-4-(4-methylphenyl)benzamide
CID 162362191
N-(4-aminobutyl)-2-(4-methylphenyl)acetamide
CID 60895939
N-[3-(dimethylamino)propyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 95970771
2-[3-(dimethylamino)propylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108995048
N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113040148
N-(5-chloropentyl)-2-(4-methylphenyl)acetamide
CID 107320841
2-(N-acetyl-4-methylanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113167668
1-[3-(dimethylamino)propyl]-3-(4-methylphenyl)urea
CID 47103513
N-[4-(dimethylamino)butyl]-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide
CID 110436526

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)acetamide (CID 4080384) is N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)NCCCN(C)C)cc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)acetamide?
The InChIKey is QUOBJAVGNGJAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-12-5-7-13(8-6-12)11-14(17)15-9-4-10-16(2)3/h5-8H,4,9-11H2,1-3H3,(H,15,17).
What are the key properties of N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)acetamide?
N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)acetamide has a molecular weight of 234.34 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 4080384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).