2-[1-(4-ethylphenyl)ethylamino]-N-pentan-2-ylacetamide

C17H28N2O — CID 60693789

IUPAC2-[1-(4-ethylphenyl)ethylamino]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CNC(C)c1ccc(CC)cc1
InChIInChI=1S/C17H28N2O/c1-5-7-13(3)19-17(20)12-18-14(4)16-10-8-15(6-2)9-11-16/h8-11,13-14,18H,5-7,12H2,1-4H3,(H,19,20)
InChIKeyIVUADLPDNUAJSE-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.20
Rot. Bonds8

About 2-[1-(4-ethylphenyl)ethylamino]-N-pentan-2-ylacetamide

2-[1-(4-ethylphenyl)ethylamino]-N-pentan-2-ylacetamide (PubChem CID 60693789) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[1-(4-ethylphenyl)ethylamino]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[1-(4-ethylphenyl)ethylamino]-N-pentan-2-ylacetamide
PubChem CID60693789
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-[1-(4-ethylphenyl)ethylamino]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CNC(C)c1ccc(CC)cc1
InChIInChI=1S/C17H28N2O/c1-5-7-13(3)19-17(20)12-18-14(4)16-10-8-15(6-2)9-11-16/h8-11,13-14,18H,5-7,12H2,1-4H3,(H,19,20)
InChIKeyIVUADLPDNUAJSE-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-2-[1-(4-ethylphenyl)ethylamino]acetamide
CID 60693867
N-pentan-2-yl-2-(1-phenylethylamino)acetamide
CID 60684136
2-[1-(4-ethylphenyl)ethylamino]-N-methylacetamide
CID 43214669
N-pentan-2-yl-2-(1-pyridin-4-ylethylamino)acetamide
CID 60693847
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 8636133
N-butan-2-yl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 81354162
2-[1-(4-bromophenyl)ethylamino]-N-butan-2-ylacetamide
CID 60693866
N-ethyl-2-[1-(4-ethylphenyl)ethylamino]-N-methylacetamide
CID 60759691
N-[(3,5-difluorophenyl)methyl]-2-[1-(4-ethylphenyl)ethylamino]acetamide
CID 112840376
N-propan-2-yl-2-[1-(4-propan-2-ylphenyl)ethylamino]acetamide
CID 43398085
N-tert-butyl-2-[1-(4-propylphenyl)ethylamino]acetamide
CID 81298338
2-(butan-2-ylamino)-N-[1-(4-ethylphenyl)-2-methylpropyl]acetamide
CID 60684128

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethylphenyl)ethylamino]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[1-(4-ethylphenyl)ethylamino]-N-pentan-2-ylacetamide (CID 60693789) is 2-[1-(4-ethylphenyl)ethylamino]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[1-(4-ethylphenyl)ethylamino]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[1-(4-ethylphenyl)ethylamino]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CNC(C)c1ccc(CC)cc1.
What is the InChIKey of 2-[1-(4-ethylphenyl)ethylamino]-N-pentan-2-ylacetamide?
The InChIKey is IVUADLPDNUAJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-7-13(3)19-17(20)12-18-14(4)16-10-8-15(6-2)9-11-16/h8-11,13-14,18H,5-7,12H2,1-4H3,(H,19,20).
What are the key properties of 2-[1-(4-ethylphenyl)ethylamino]-N-pentan-2-ylacetamide?
2-[1-(4-ethylphenyl)ethylamino]-N-pentan-2-ylacetamide has a molecular weight of 276.42 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethylphenyl)ethylamino]-N-pentan-2-ylacetamide is sourced from PubChem (CID 60693789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).