N-pentan-2-ylbenzamide

C12H17NO — CID 3118938

IUPACN-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1ccccc1
InChIInChI=1S/C12H17NO/c1-3-7-10(2)13-12(14)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3,(H,13,14)
InChIKeyGQISYERWBJFNPY-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.61
Rot. Bonds4

About N-pentan-2-ylbenzamide

N-pentan-2-ylbenzamide (PubChem CID 3118938) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-pentan-2-ylbenzamide.

Molecular Properties

Compound NameN-pentan-2-ylbenzamide
PubChem CID3118938
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1ccccc1
InChIInChI=1S/C12H17NO/c1-3-7-10(2)13-12(14)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3,(H,13,14)
InChIKeyGQISYERWBJFNPY-UHFFFAOYSA-N
XLogP2.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-pentan-2-ylbenzamide?
The IUPAC name of N-pentan-2-ylbenzamide (CID 3118938) is N-pentan-2-ylbenzamide.
What is the SMILES notation for N-pentan-2-ylbenzamide?
The canonical SMILES for N-pentan-2-ylbenzamide is CCCC(C)NC(=O)c1ccccc1.
What is the InChIKey of N-pentan-2-ylbenzamide?
The InChIKey is GQISYERWBJFNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-7-10(2)13-12(14)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3,(H,13,14).
What are the key properties of N-pentan-2-ylbenzamide?
N-pentan-2-ylbenzamide has a molecular weight of 191.27 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-ylbenzamide is sourced from PubChem (CID 3118938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).