2-[1-(4-tert-butylphenyl)ethylamino]-N-(2-methylpropyl)acetamide

C18H30N2O — CID 115663692

IUPAC2-[1-(4-tert-butylphenyl)ethylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNC(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-13(2)11-20-17(21)12-19-14(3)15-7-9-16(10-8-15)18(4,5)6/h7-10,13-14,19H,11-12H2,1-6H3,(H,20,21)
InChIKeyINIPDJMZTSOCMV-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.41
Rot. Bonds6

About 2-[1-(4-tert-butylphenyl)ethylamino]-N-(2-methylpropyl)acetamide

2-[1-(4-tert-butylphenyl)ethylamino]-N-(2-methylpropyl)acetamide (PubChem CID 115663692) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-[1-(4-tert-butylphenyl)ethylamino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-tert-butylphenyl)ethylamino]-N-(2-methylpropyl)acetamide
PubChem CID115663692
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-[1-(4-tert-butylphenyl)ethylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNC(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-13(2)11-20-17(21)12-19-14(3)15-7-9-16(10-8-15)18(4,5)6/h7-10,13-14,19H,11-12H2,1-6H3,(H,20,21)
InChIKeyINIPDJMZTSOCMV-UHFFFAOYSA-N
XLogP3.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butylanilino)-N-(2-methylpropyl)acetamide
CID 28571980
N-(2-methylpropyl)-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
CID 115571074
2-[1-(4-tert-butylphenyl)ethylamino]-N-cyclopropylacetamide
CID 43568343
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide
CID 81382464
N-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]acetamide
CID 43566828
2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-N-(2-methylpropyl)acetamide
CID 81373699
2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-N-(2-methylpropyl)acetamide
CID 115900436
2-[1-[3-(difluoromethoxy)phenyl]ethylamino]-N-(2-methylpropyl)acetamide
CID 115900197
N-tert-butyl-2-[1-[4-(2-methylpropyl)phenyl]ethylamino]acetamide
CID 78913238
N-(2-methylpropyl)-2-(1-thiophen-2-ylethylamino)acetamide
CID 43398125
N-(4-tert-butylphenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376286
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylacetamide
CID 81359238

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-tert-butylphenyl)ethylamino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[1-(4-tert-butylphenyl)ethylamino]-N-(2-methylpropyl)acetamide (CID 115663692) is 2-[1-(4-tert-butylphenyl)ethylamino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[1-(4-tert-butylphenyl)ethylamino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[1-(4-tert-butylphenyl)ethylamino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CNC(C)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-[1-(4-tert-butylphenyl)ethylamino]-N-(2-methylpropyl)acetamide?
The InChIKey is INIPDJMZTSOCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-13(2)11-20-17(21)12-19-14(3)15-7-9-16(10-8-15)18(4,5)6/h7-10,13-14,19H,11-12H2,1-6H3,(H,20,21).
What are the key properties of 2-[1-(4-tert-butylphenyl)ethylamino]-N-(2-methylpropyl)acetamide?
2-[1-(4-tert-butylphenyl)ethylamino]-N-(2-methylpropyl)acetamide has a molecular weight of 290.45 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-tert-butylphenyl)ethylamino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 115663692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).