N-(2,4,4-trimethylpentan-2-yl)benzamide

C15H23NO — CID 974108

IUPACN-(2,4,4-trimethylpentan-2-yl)benzamide
SMILESCC(C)(C)CC(C)(C)NC(=O)c1ccccc1
InChIInChI=1S/C15H23NO/c1-14(2,3)11-15(4,5)16-13(17)12-9-7-6-8-10-12/h6-10H,11H2,1-5H3,(H,16,17)
InChIKeyINHLZZBBRVWNPB-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.63
Rot. Bonds3

About N-(2,4,4-trimethylpentan-2-yl)benzamide

N-(2,4,4-trimethylpentan-2-yl)benzamide (PubChem CID 974108) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-(2,4,4-trimethylpentan-2-yl)benzamide.

Molecular Properties

Compound NameN-(2,4,4-trimethylpentan-2-yl)benzamide
PubChem CID974108
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-(2,4,4-trimethylpentan-2-yl)benzamide
SMILESCC(C)(C)CC(C)(C)NC(=O)c1ccccc1
InChIInChI=1S/C15H23NO/c1-14(2,3)11-15(4,5)16-13(17)12-9-7-6-8-10-12/h6-10H,11H2,1-5H3,(H,16,17)
InChIKeyINHLZZBBRVWNPB-UHFFFAOYSA-N
XLogP3.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,4,4-trimethylpentan-2-yl)benzamide?
The IUPAC name of N-(2,4,4-trimethylpentan-2-yl)benzamide (CID 974108) is N-(2,4,4-trimethylpentan-2-yl)benzamide.
What is the SMILES notation for N-(2,4,4-trimethylpentan-2-yl)benzamide?
The canonical SMILES for N-(2,4,4-trimethylpentan-2-yl)benzamide is CC(C)(C)CC(C)(C)NC(=O)c1ccccc1.
What is the InChIKey of N-(2,4,4-trimethylpentan-2-yl)benzamide?
The InChIKey is INHLZZBBRVWNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-14(2,3)11-15(4,5)16-13(17)12-9-7-6-8-10-12/h6-10H,11H2,1-5H3,(H,16,17).
What are the key properties of N-(2,4,4-trimethylpentan-2-yl)benzamide?
N-(2,4,4-trimethylpentan-2-yl)benzamide has a molecular weight of 233.35 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,4-trimethylpentan-2-yl)benzamide is sourced from PubChem (CID 974108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).