2-(4-tert-butylanilino)-N-(2-methylpropyl)acetamide

C16H26N2O — CID 28571980

IUPAC2-(4-tert-butylanilino)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-12(2)10-18-15(19)11-17-14-8-6-13(7-9-14)16(3,4)5/h6-9,12,17H,10-11H2,1-5H3,(H,18,19)
InChIKeyIULFPPFUGJDOCB-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.17
Rot. Bonds5

About 2-(4-tert-butylanilino)-N-(2-methylpropyl)acetamide

2-(4-tert-butylanilino)-N-(2-methylpropyl)acetamide (PubChem CID 28571980) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(4-tert-butylanilino)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-tert-butylanilino)-N-(2-methylpropyl)acetamide
PubChem CID28571980
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(4-tert-butylanilino)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-12(2)10-18-15(19)11-17-14-8-6-13(7-9-14)16(3,4)5/h6-9,12,17H,10-11H2,1-5H3,(H,18,19)
InChIKeyIULFPPFUGJDOCB-UHFFFAOYSA-N
XLogP3.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylanilino)-N-(2-methylpropyl)acetamide
CID 28585751
2-anilino-N-(2-methylpropyl)acetamide
CID 28565172
N-(2-methylpropyl)-2-(4-phenylanilino)acetamide
CID 60647076
N-(2-methylpropyl)-2-(4-methylsulfonylanilino)acetamide
CID 28579456
2-[1-(4-tert-butylphenyl)ethylamino]-N-(2-methylpropyl)acetamide
CID 115663692
N-(2-methylpropyl)-2-(4-sulfamoylanilino)acetamide
CID 112688467
2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-N-(2-methylpropyl)acetamide
CID 133360538
N-(2-methylpropyl)-2-(4-piperidin-1-ylanilino)acetamide
CID 60647120
N-(3-methylbutyl)-2-[4-(trifluoromethyl)anilino]acetamide
CID 60672877
2-(3,5-difluoroanilino)-N-(2-methylpropyl)acetamide
CID 28584200
2-(4-chloroanilino)-N-(2-methylpropylcarbamoyl)acetamide
CID 26506580
2-(4-fluoroanilino)-N-(2-methylpropylcarbamoyl)acetamide
CID 26506069

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylanilino)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(4-tert-butylanilino)-N-(2-methylpropyl)acetamide (CID 28571980) is 2-(4-tert-butylanilino)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(4-tert-butylanilino)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(4-tert-butylanilino)-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CNc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylanilino)-N-(2-methylpropyl)acetamide?
The InChIKey is IULFPPFUGJDOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)10-18-15(19)11-17-14-8-6-13(7-9-14)16(3,4)5/h6-9,12,17H,10-11H2,1-5H3,(H,18,19).
What are the key properties of 2-(4-tert-butylanilino)-N-(2-methylpropyl)acetamide?
2-(4-tert-butylanilino)-N-(2-methylpropyl)acetamide has a molecular weight of 262.40 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylanilino)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 28571980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).