N-(2-methylpropyl)-2-(4-phenylanilino)acetamide

C18H22N2O — CID 60647076

IUPACN-(2-methylpropyl)-2-(4-phenylanilino)acetamide
SMILESCC(C)CNC(=O)CNc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H22N2O/c1-14(2)12-20-18(21)13-19-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,14,19H,12-13H2,1-2H3,(H,20,21)
InChIKeyQBKFBQWBXOVTSB-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.54
Rot. Bonds6

About N-(2-methylpropyl)-2-(4-phenylanilino)acetamide

N-(2-methylpropyl)-2-(4-phenylanilino)acetamide (PubChem CID 60647076) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(4-phenylanilino)acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(4-phenylanilino)acetamide
PubChem CID60647076
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-(2-methylpropyl)-2-(4-phenylanilino)acetamide
SMILESCC(C)CNC(=O)CNc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H22N2O/c1-14(2)12-20-18(21)13-19-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,14,19H,12-13H2,1-2H3,(H,20,21)
InChIKeyQBKFBQWBXOVTSB-UHFFFAOYSA-N
XLogP3.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-anilino-N-(2-methylpropyl)acetamide
CID 28565172
2-(4-methylanilino)-N-(2-methylpropyl)acetamide
CID 28585751
2-(4-tert-butylanilino)-N-(2-methylpropyl)acetamide
CID 28571980
2-(4-phenylanilino)-N-propylacetamide
CID 47117859
N-(cyanomethyl)-2-(4-phenylanilino)acetamide
CID 62254224
N-(2-methylpropyl)-2-(4-methylsulfonylanilino)acetamide
CID 28579456
N-(2-methylpropyl)-2-(4-sulfamoylanilino)acetamide
CID 112688467
2-methyl-3-(4-phenylanilino)propanoic acid
CID 62253496
N-(2-methylpropyl)-4-(4-phenylphenyl)benzamide
CID 145125410
2-anilino-N-(2-ethoxypropyl)acetamide
CID 115739451
N-(2-methylpropyl)-2-(4-piperidin-1-ylanilino)acetamide
CID 60647120
2-amino-4-[[2-(2-methylpropylamino)-2-oxoethyl]amino]benzoic acid
CID 104500875

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(4-phenylanilino)acetamide?
The IUPAC name of N-(2-methylpropyl)-2-(4-phenylanilino)acetamide (CID 60647076) is N-(2-methylpropyl)-2-(4-phenylanilino)acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(4-phenylanilino)acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-(4-phenylanilino)acetamide is CC(C)CNC(=O)CNc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(2-methylpropyl)-2-(4-phenylanilino)acetamide?
The InChIKey is QBKFBQWBXOVTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14(2)12-20-18(21)13-19-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,14,19H,12-13H2,1-2H3,(H,20,21).
What are the key properties of N-(2-methylpropyl)-2-(4-phenylanilino)acetamide?
N-(2-methylpropyl)-2-(4-phenylanilino)acetamide has a molecular weight of 282.39 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(4-phenylanilino)acetamide is sourced from PubChem (CID 60647076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).