3-(2,6-dimethylanilino)-N-(3-phenylpropyl)propanamide

C20H26N2O — CID 109030823

IUPAC3-(2,6-dimethylanilino)-N-(3-phenylpropyl)propanamide
SMILESCc1cccc(C)c1NCCC(=O)NCCCc1ccccc1
InChIInChI=1S/C20H26N2O/c1-16-8-6-9-17(2)20(16)22-15-13-19(23)21-14-7-12-18-10-4-3-5-11-18/h3-6,8-11,22H,7,12-15H2,1-2H3,(H,21,23)
InChIKeyBSWCVYRKMMFEMK-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.85
Rot. Bonds8

About 3-(2,6-dimethylanilino)-N-(3-phenylpropyl)propanamide

3-(2,6-dimethylanilino)-N-(3-phenylpropyl)propanamide (PubChem CID 109030823) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-(2,6-dimethylanilino)-N-(3-phenylpropyl)propanamide.

Molecular Properties

Compound Name3-(2,6-dimethylanilino)-N-(3-phenylpropyl)propanamide
PubChem CID109030823
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name3-(2,6-dimethylanilino)-N-(3-phenylpropyl)propanamide
SMILESCc1cccc(C)c1NCCC(=O)NCCCc1ccccc1
InChIInChI=1S/C20H26N2O/c1-16-8-6-9-17(2)20(16)22-15-13-19(23)21-14-7-12-18-10-4-3-5-11-18/h3-6,8-11,22H,7,12-15H2,1-2H3,(H,21,23)
InChIKeyBSWCVYRKMMFEMK-UHFFFAOYSA-N
XLogP3.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(tert-butylamino)-N-(3-phenylpropyl)propanamide
CID 60913635
ethane;N-(3-phenylpropyl)-3-(3-phenylpropylamino)propanamide
CID 142168077
3-(2,6-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025785
3-(3-acetylanilino)-N-(3-phenylpropyl)propanamide
CID 109030863
3-(2-chloroanilino)-N-(3-phenylpropyl)propanamide
CID 109030837
N-butyl-3-(2-ethyl-6-methylanilino)propanamide
CID 109012269
N'-(2-methyl-6-propan-2-ylphenyl)-N-(3-phenylpropyl)propanediamide
CID 108951208
6-oxo-6-(3-phenylpropylamino)hexanoic acid
CID 60913632
N-(3-phenylpropyl)-3-sulfanylpropanamide
CID 107023597
N-butyl-3-(3-phenylpropylamino)propanamide
CID 109012240
3-(2,6-dimethylanilino)-N-(2,6-dimethylphenyl)propanamide
CID 109035764
1-(2-methyl-6-propan-2-ylphenyl)-3-(3-phenylpropyl)urea
CID 108990495

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylanilino)-N-(3-phenylpropyl)propanamide?
The IUPAC name of 3-(2,6-dimethylanilino)-N-(3-phenylpropyl)propanamide (CID 109030823) is 3-(2,6-dimethylanilino)-N-(3-phenylpropyl)propanamide.
What is the SMILES notation for 3-(2,6-dimethylanilino)-N-(3-phenylpropyl)propanamide?
The canonical SMILES for 3-(2,6-dimethylanilino)-N-(3-phenylpropyl)propanamide is Cc1cccc(C)c1NCCC(=O)NCCCc1ccccc1.
What is the InChIKey of 3-(2,6-dimethylanilino)-N-(3-phenylpropyl)propanamide?
The InChIKey is BSWCVYRKMMFEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-16-8-6-9-17(2)20(16)22-15-13-19(23)21-14-7-12-18-10-4-3-5-11-18/h3-6,8-11,22H,7,12-15H2,1-2H3,(H,21,23).
What are the key properties of 3-(2,6-dimethylanilino)-N-(3-phenylpropyl)propanamide?
3-(2,6-dimethylanilino)-N-(3-phenylpropyl)propanamide has a molecular weight of 310.44 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylanilino)-N-(3-phenylpropyl)propanamide is sourced from PubChem (CID 109030823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).