2-[4-(2-methylpropyl)phenyl]-N-propylacetamide

C15H23NO — CID 78814444

IUPAC2-[4-(2-methylpropyl)phenyl]-N-propylacetamide
SMILESCCCNC(=O)Cc1ccc(CC(C)C)cc1
InChIInChI=1S/C15H23NO/c1-4-9-16-15(17)11-14-7-5-13(6-8-14)10-12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,16,17)
InChIKeyMGOJYRPEUMUCTI-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.95
Rot. Bonds6

About 2-[4-(2-methylpropyl)phenyl]-N-propylacetamide

2-[4-(2-methylpropyl)phenyl]-N-propylacetamide (PubChem CID 78814444) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)phenyl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)phenyl]-N-propylacetamide
PubChem CID78814444
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-[4-(2-methylpropyl)phenyl]-N-propylacetamide
SMILESCCCNC(=O)Cc1ccc(CC(C)C)cc1
InChIInChI=1S/C15H23NO/c1-4-9-16-15(17)11-14-7-5-13(6-8-14)10-12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,16,17)
InChIKeyMGOJYRPEUMUCTI-UHFFFAOYSA-N
XLogP2.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-hydroxybutyl)-2-[4-(2-methylpropyl)phenyl]acetamide
CID 111428861
N-(2-methoxyethyl)-2-[4-(2-methylpropyl)phenyl]acetamide
CID 78814646
2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylacetamide
CID 43400934
2-[4-(2-methylpropyl)phenyl]-N-propan-2-ylacetamide
CID 78814712
2-[4-(3,3-dimethyl-2-oxobutyl)phenyl]-N-propylacetamide
CID 21340974
N-(2-amino-2-methylpropyl)-2-[4-(2-methylpropyl)phenyl]acetamide;hydrochloride
CID 119628469
N-(3-amino-2-methylpropyl)-2-[4-(2-methylpropyl)phenyl]acetamide
CID 115271670
2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylpropanamide
CID 43226762
benzene;molecular hydrogen;2-phenyl-N-propylacetamide
CID 144955399
4-(2-methylpropyl)-N-[6-(propanoylamino)hexyl]benzamide
CID 67991258
bicyclo[2.2.0]hexa-1,3,5-triene;2-phenyl-N-propylacetamide
CID 175085430
N-cyclohexyl-3-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]propanamide
CID 60552327

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropyl)phenyl]-N-propylacetamide?
The IUPAC name of 2-[4-(2-methylpropyl)phenyl]-N-propylacetamide (CID 78814444) is 2-[4-(2-methylpropyl)phenyl]-N-propylacetamide.
What is the SMILES notation for 2-[4-(2-methylpropyl)phenyl]-N-propylacetamide?
The canonical SMILES for 2-[4-(2-methylpropyl)phenyl]-N-propylacetamide is CCCNC(=O)Cc1ccc(CC(C)C)cc1.
What is the InChIKey of 2-[4-(2-methylpropyl)phenyl]-N-propylacetamide?
The InChIKey is MGOJYRPEUMUCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-9-16-15(17)11-14-7-5-13(6-8-14)10-12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,16,17).
What are the key properties of 2-[4-(2-methylpropyl)phenyl]-N-propylacetamide?
2-[4-(2-methylpropyl)phenyl]-N-propylacetamide has a molecular weight of 233.35 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)phenyl]-N-propylacetamide is sourced from PubChem (CID 78814444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).