N-phenyl-N-propylacetamide

C11H15NO — CID 17098

IUPACN-phenyl-N-propylacetamide
SMILESCCCN(C(C)=O)c1ccccc1
InChIInChI=1S/C11H15NO/c1-3-9-12(10(2)13)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3
InChIKeyPREAZHGTUOIWRL-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.45
Rot. Bonds3

About N-phenyl-N-propylacetamide

N-phenyl-N-propylacetamide (PubChem CID 17098) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N-phenyl-N-propylacetamide.

Molecular Properties

Compound NameN-phenyl-N-propylacetamide
PubChem CID17098
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN-phenyl-N-propylacetamide
SMILESCCCN(C(C)=O)c1ccccc1
InChIInChI=1S/C11H15NO/c1-3-9-12(10(2)13)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3
InChIKeyPREAZHGTUOIWRL-UHFFFAOYSA-N
XLogP2.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-propylacetamide?
The IUPAC name of N-phenyl-N-propylacetamide (CID 17098) is N-phenyl-N-propylacetamide.
What is the SMILES notation for N-phenyl-N-propylacetamide?
The canonical SMILES for N-phenyl-N-propylacetamide is CCCN(C(C)=O)c1ccccc1.
What is the InChIKey of N-phenyl-N-propylacetamide?
The InChIKey is PREAZHGTUOIWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-3-9-12(10(2)13)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3.
What are the key properties of N-phenyl-N-propylacetamide?
N-phenyl-N-propylacetamide has a molecular weight of 177.25 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-propylacetamide is sourced from PubChem (CID 17098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).