N-[3-(dimethylamino)propyl]-3-(4-methylphenyl)propanamide

C15H24N2O — CID 110755343

IUPACN-[3-(dimethylamino)propyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCCCN(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-13-5-7-14(8-6-13)9-10-15(18)16-11-4-12-17(2)3/h5-8H,4,9-12H2,1-3H3,(H,16,18)
InChIKeyCROUEPHCXPQMJU-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.00
Rot. Bonds7

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

N-[3-(dimethylamino)propyl]-3-(4-methylphenyl)propanamide (PubChem CID 110755343) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3-(4-methylphenyl)propanamide
PubChem CID110755343
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[3-(dimethylamino)propyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCCCN(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-13-5-7-14(8-6-13)9-10-15(18)16-11-4-12-17(2)3/h5-8H,4,9-12H2,1-3H3,(H,16,18)
InChIKeyCROUEPHCXPQMJU-UHFFFAOYSA-N
XLogP2.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.00
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

3-[4-(dimethylamino)phenyl]-N-[3-(dimethylamino)propyl]propanamide
CID 110464585
N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide
CID 94913793
N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)acetamide
CID 4080384
N-(4-chlorobutyl)-3-(4-methylphenyl)propanamide
CID 106845485
N-[2-(dimethylcarbamoylamino)ethyl]-3-(4-methylphenyl)propanamide
CID 108574246
7-[3-(4-methylphenyl)propanoylamino]heptanoic acid
CID 43359020
N-(6-iodohexyl)-3-(4-methylphenyl)propanamide
CID 107848485
N-[2-(dimethylamino)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 11960750
N-(3-cyanopropyl)-3-(4-methylphenyl)propanamide
CID 55102075
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]propanamide
CID 28712797
3-(4-methylphenyl)-N-(3-sulfamoylpropyl)propanamide
CID 55070556
N-(4-cyanobutyl)-3-(4-methylphenyl)propanamide
CID 63284353

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3-(4-methylphenyl)propanamide (CID 110755343) is N-[3-(dimethylamino)propyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)NCCCN(C)C)cc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3-(4-methylphenyl)propanamide?
The InChIKey is CROUEPHCXPQMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-13-5-7-14(8-6-13)9-10-15(18)16-11-4-12-17(2)3/h5-8H,4,9-12H2,1-3H3,(H,16,18).
What are the key properties of N-[3-(dimethylamino)propyl]-3-(4-methylphenyl)propanamide?
N-[3-(dimethylamino)propyl]-3-(4-methylphenyl)propanamide has a molecular weight of 248.37 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 110755343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).