2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylacetamide

C17H28N2O — CID 43400934

IUPAC2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylacetamide
SMILESCCCNC(=O)CNC(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-5-10-18-17(20)12-19-14(4)16-8-6-15(7-9-16)11-13(2)3/h6-9,13-14,19H,5,10-12H2,1-4H3,(H,18,20)
InChIKeyLCQFYMYQPLTEJE-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.06
Rot. Bonds8

About 2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylacetamide

2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylacetamide (PubChem CID 43400934) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylacetamide
PubChem CID43400934
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylacetamide
SMILESCCCNC(=O)CNC(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-5-10-18-17(20)12-19-14(4)16-8-6-15(7-9-16)11-13(2)3/h6-9,13-14,19H,5,10-12H2,1-4H3,(H,18,20)
InChIKeyLCQFYMYQPLTEJE-UHFFFAOYSA-N
XLogP3.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2-methylpropyl)phenyl]-N-propylacetamide
CID 78814444
N-tert-butyl-2-[1-[4-(2-methylpropyl)phenyl]ethylamino]acetamide
CID 78913238
2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylpropanamide
CID 43226762
N-propyl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
CID 43226335
N-cyclopropyl-2-[1-[4-(2-methylpropyl)phenyl]ethylamino]acetamide
CID 43398065
N-butyl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 81354492
2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 8992755
2-[[5-[2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide
CID 42987920
2-[1-(4-ethylphenyl)ethylamino]-N-methylacetamide
CID 43214669
2-bromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]prop-2-en-1-amine
CID 113464994
2-[1-(4-ethylphenyl)ethylamino]-N-pentan-2-ylacetamide
CID 60693789
2-[1-(4-bromophenyl)ethylamino]-N-ethylacetamide
CID 43400964

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylacetamide?
The IUPAC name of 2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylacetamide (CID 43400934) is 2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylacetamide.
What is the SMILES notation for 2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylacetamide?
The canonical SMILES for 2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylacetamide is CCCNC(=O)CNC(C)c1ccc(CC(C)C)cc1.
What is the InChIKey of 2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylacetamide?
The InChIKey is LCQFYMYQPLTEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-10-18-17(20)12-19-14(4)16-8-6-15(7-9-16)11-13(2)3/h6-9,13-14,19H,5,10-12H2,1-4H3,(H,18,20).
What are the key properties of 2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylacetamide?
2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylacetamide has a molecular weight of 276.42 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylacetamide is sourced from PubChem (CID 43400934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).