2-phenyl-N,N-di(propan-2-yl)butanamide

C16H25NO — CID 3747942

IUPAC2-phenyl-N,N-di(propan-2-yl)butanamide
SMILESCCC(C(=O)N(C(C)C)C(C)C)c1ccccc1
InChIInChI=1S/C16H25NO/c1-6-15(14-10-8-7-9-11-14)16(18)17(12(2)3)13(4)5/h7-13,15H,6H2,1-5H3
InChIKeySZRQPHRFSSRMAS-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.83
Rot. Bonds5

About 2-phenyl-N,N-di(propan-2-yl)butanamide

2-phenyl-N,N-di(propan-2-yl)butanamide (PubChem CID 3747942) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-phenyl-N,N-di(propan-2-yl)butanamide.

Molecular Properties

Compound Name2-phenyl-N,N-di(propan-2-yl)butanamide
PubChem CID3747942
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-phenyl-N,N-di(propan-2-yl)butanamide
SMILESCCC(C(=O)N(C(C)C)C(C)C)c1ccccc1
InChIInChI=1S/C16H25NO/c1-6-15(14-10-8-7-9-11-14)16(18)17(12(2)3)13(4)5/h7-13,15H,6H2,1-5H3
InChIKeySZRQPHRFSSRMAS-UHFFFAOYSA-N
XLogP3.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N,N-di(propan-2-yl)butanamide?
The IUPAC name of 2-phenyl-N,N-di(propan-2-yl)butanamide (CID 3747942) is 2-phenyl-N,N-di(propan-2-yl)butanamide.
What is the SMILES notation for 2-phenyl-N,N-di(propan-2-yl)butanamide?
The canonical SMILES for 2-phenyl-N,N-di(propan-2-yl)butanamide is CCC(C(=O)N(C(C)C)C(C)C)c1ccccc1.
What is the InChIKey of 2-phenyl-N,N-di(propan-2-yl)butanamide?
The InChIKey is SZRQPHRFSSRMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-6-15(14-10-8-7-9-11-14)16(18)17(12(2)3)13(4)5/h7-13,15H,6H2,1-5H3.
What are the key properties of 2-phenyl-N,N-di(propan-2-yl)butanamide?
2-phenyl-N,N-di(propan-2-yl)butanamide has a molecular weight of 247.38 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N,N-di(propan-2-yl)butanamide is sourced from PubChem (CID 3747942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).