3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2-tert-butylphenyl)propanamide

C20H33N3O2 — CID 113117902

IUPAC3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2-tert-butylphenyl)propanamide
SMILESCC(=O)N(CCCN(C)C)CCC(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C20H33N3O2/c1-16(24)23(14-9-13-22(5)6)15-12-19(25)21-18-11-8-7-10-17(18)20(2,3)4/h7-8,10-11H,9,12-15H2,1-6H3,(H,21,25)
InChIKeyLOTQLBICPJKYRY-UHFFFAOYSA-N
MW347.50 g/mol
LogP3.11
Rot. Bonds8

About 3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2-tert-butylphenyl)propanamide

3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2-tert-butylphenyl)propanamide (PubChem CID 113117902) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2-tert-butylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2-tert-butylphenyl)propanamide
PubChem CID113117902
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2-tert-butylphenyl)propanamide
SMILESCC(=O)N(CCCN(C)C)CCC(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C20H33N3O2/c1-16(24)23(14-9-13-22(5)6)15-12-19(25)21-18-11-8-7-10-17(18)20(2,3)4/h7-8,10-11H,9,12-15H2,1-6H3,(H,21,25)
InChIKeyLOTQLBICPJKYRY-UHFFFAOYSA-N
XLogP3.11
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2-ethylphenyl)propanamide
CID 113117893
3-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-tert-butylphenyl)propanamide
CID 113117359
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-tert-butylphenyl)propanamide
CID 113119165
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-methylphenyl)propanamide
CID 113117534
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-ethylphenyl)propanamide
CID 113117546
3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,6-diethylphenyl)propanamide
CID 113117900
N-(2-tert-butylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 108994503
3-[acetyl(butyl)amino]-N-(2-chlorophenyl)propanamide
CID 113115826
N-(2-tert-butylphenyl)-5-chloropentanamide
CID 43697568
4-amino-N-(2-tert-butylphenyl)butanamide;hydrochloride
CID 119164498
3-[acetyl(benzyl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113118316
3-[acetyl-[3-(dimethylamino)propyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113117818

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2-tert-butylphenyl)propanamide?
The IUPAC name of 3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2-tert-butylphenyl)propanamide (CID 113117902) is 3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2-tert-butylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2-tert-butylphenyl)propanamide?
The canonical SMILES for 3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2-tert-butylphenyl)propanamide is CC(=O)N(CCCN(C)C)CCC(=O)Nc1ccccc1C(C)(C)C.
What is the InChIKey of 3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2-tert-butylphenyl)propanamide?
The InChIKey is LOTQLBICPJKYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-16(24)23(14-9-13-22(5)6)15-12-19(25)21-18-11-8-7-10-17(18)20(2,3)4/h7-8,10-11H,9,12-15H2,1-6H3,(H,21,25).
What are the key properties of 3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2-tert-butylphenyl)propanamide?
3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2-tert-butylphenyl)propanamide has a molecular weight of 347.50 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2-tert-butylphenyl)propanamide is sourced from PubChem (CID 113117902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).