3-(3,4-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide

C19H24N2O — CID 91761122

IUPAC3-(3,4-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide
SMILESCc1ccc(CCC(=O)NCCCc2cccnc2)cc1C
InChIInChI=1S/C19H24N2O/c1-15-7-8-17(13-16(15)2)9-10-19(22)21-12-4-6-18-5-3-11-20-14-18/h3,5,7-8,11,13-14H,4,6,9-10,12H2,1-2H3,(H,21,22)
InChIKeySEMBTYXBWSFXMU-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.38
Rot. Bonds7

About 3-(3,4-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide

3-(3,4-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide (PubChem CID 91761122) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide
PubChem CID91761122
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name3-(3,4-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide
SMILESCc1ccc(CCC(=O)NCCCc2cccnc2)cc1C
InChIInChI=1S/C19H24N2O/c1-15-7-8-17(13-16(15)2)9-10-19(22)21-12-4-6-18-5-3-11-20-14-18/h3,5,7-8,11,13-14H,4,6,9-10,12H2,1-2H3,(H,21,22)
InChIKeySEMBTYXBWSFXMU-UHFFFAOYSA-N
XLogP3.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.38
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-(3,4-dimethylphenyl)-N-(1-pyridin-3-ylpropan-2-yl)propanamide
CID 86286437
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-pyridin-3-ylpropanamide
CID 91790137
N-[3-(dimethylamino)propyl]-4-pyridin-3-ylbutanamide
CID 110408294
2-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)acetamide
CID 110400247
N-(4-methoxybutyl)-4-pyridin-3-ylbutanamide
CID 110610244
N-(2-phenylethyl)-4-pyridin-3-ylbutanamide
CID 110410890
N-[2-(3-chlorophenyl)ethyl]-4-pyridin-3-ylbutanamide
CID 110416616
4-(4-tert-butylphenyl)-4-oxo-N-(3-pyridin-3-ylpropyl)butanamide
CID 110616007
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-pyridin-3-ylpropanamide
CID 18117902
N-(3-phenylpropyl)-3-(pyridin-3-ylmethylamino)propanamide
CID 109023651
1-propyl-3-(3-pyridin-3-ylpropyl)urea
CID 110400279
4-(2-chlorophenyl)-4-oxo-N-(3-pyridin-3-ylpropyl)butanamide
CID 110607164

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide?
The IUPAC name of 3-(3,4-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide (CID 91761122) is 3-(3,4-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide?
The canonical SMILES for 3-(3,4-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide is Cc1ccc(CCC(=O)NCCCc2cccnc2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide?
The InChIKey is SEMBTYXBWSFXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-15-7-8-17(13-16(15)2)9-10-19(22)21-12-4-6-18-5-3-11-20-14-18/h3,5,7-8,11,13-14H,4,6,9-10,12H2,1-2H3,(H,21,22).
What are the key properties of 3-(3,4-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide?
3-(3,4-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide has a molecular weight of 296.41 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide is sourced from PubChem (CID 91761122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).