N-phenylpropanamide

C9H11NO — CID 12107

IUPACN-phenylpropanamide
SMILESCCC(=O)Nc1ccccc1
InChIInChI=1S/C9H11NO/c1-2-9(11)10-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,11)
InChIKeyZTHRQJQJODGZHV-UHFFFAOYSA-N
MW149.19 g/mol
LogP2.04
Rot. Bonds2

About N-phenylpropanamide

N-phenylpropanamide (PubChem CID 12107) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is N-phenylpropanamide.

Molecular Properties

Compound NameN-phenylpropanamide
PubChem CID12107
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC NameN-phenylpropanamide
SMILESCCC(=O)Nc1ccccc1
InChIInChI=1S/C9H11NO/c1-2-9(11)10-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,11)
InChIKeyZTHRQJQJODGZHV-UHFFFAOYSA-N
XLogP2.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-phenylpropanamide?
The IUPAC name of N-phenylpropanamide (CID 12107) is N-phenylpropanamide.
What is the SMILES notation for N-phenylpropanamide?
The canonical SMILES for N-phenylpropanamide is CCC(=O)Nc1ccccc1.
What is the InChIKey of N-phenylpropanamide?
The InChIKey is ZTHRQJQJODGZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-2-9(11)10-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,11).
What are the key properties of N-phenylpropanamide?
N-phenylpropanamide has a molecular weight of 149.19 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylpropanamide is sourced from PubChem (CID 12107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).