2-anilino-3-methyl-2-phenylbutanamide

C17H20N2O — CID 60996428

IUPAC2-anilino-3-methyl-2-phenylbutanamide
SMILESCC(C)C(Nc1ccccc1)(C(N)=O)c1ccccc1
InChIInChI=1S/C17H20N2O/c1-13(2)17(16(18)20,14-9-5-3-6-10-14)19-15-11-7-4-8-12-15/h3-13,19H,1-2H3,(H2,18,20)
InChIKeyBSHRCWHGZRNSDU-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.14
Rot. Bonds5

About 2-anilino-3-methyl-2-phenylbutanamide

2-anilino-3-methyl-2-phenylbutanamide (PubChem CID 60996428) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-anilino-3-methyl-2-phenylbutanamide.

Molecular Properties

Compound Name2-anilino-3-methyl-2-phenylbutanamide
PubChem CID60996428
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-anilino-3-methyl-2-phenylbutanamide
SMILESCC(C)C(Nc1ccccc1)(C(N)=O)c1ccccc1
InChIInChI=1S/C17H20N2O/c1-13(2)17(16(18)20,14-9-5-3-6-10-14)19-15-11-7-4-8-12-15/h3-13,19H,1-2H3,(H2,18,20)
InChIKeyBSHRCWHGZRNSDU-UHFFFAOYSA-N
XLogP3.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-3-methyl-2-phenylbutanamide?
The IUPAC name of 2-anilino-3-methyl-2-phenylbutanamide (CID 60996428) is 2-anilino-3-methyl-2-phenylbutanamide.
What is the SMILES notation for 2-anilino-3-methyl-2-phenylbutanamide?
The canonical SMILES for 2-anilino-3-methyl-2-phenylbutanamide is CC(C)C(Nc1ccccc1)(C(N)=O)c1ccccc1.
What is the InChIKey of 2-anilino-3-methyl-2-phenylbutanamide?
The InChIKey is BSHRCWHGZRNSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13(2)17(16(18)20,14-9-5-3-6-10-14)19-15-11-7-4-8-12-15/h3-13,19H,1-2H3,(H2,18,20).
What are the key properties of 2-anilino-3-methyl-2-phenylbutanamide?
2-anilino-3-methyl-2-phenylbutanamide has a molecular weight of 268.36 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-3-methyl-2-phenylbutanamide is sourced from PubChem (CID 60996428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).