3-phenylpropanamide

C9H11NO — CID 7625

IUPAC3-phenylpropanamide
SMILESNC(=O)CCc1ccccc1
InChIInChI=1S/C9H11NO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11)
InChIKeyVYIBCOSBNVFEIW-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.10
Rot. Bonds3

About 3-phenylpropanamide

3-phenylpropanamide (PubChem CID 7625) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 3-phenylpropanamide.

Molecular Properties

Compound Name3-phenylpropanamide
PubChem CID7625
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name3-phenylpropanamide
SMILESNC(=O)CCc1ccccc1
InChIInChI=1S/C9H11NO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11)
InChIKeyVYIBCOSBNVFEIW-UHFFFAOYSA-N
XLogP1.10
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Benzeneacetamide
CID 7680
2-Phenylbutanamide
CID 7011
Benzeneacetic acid, hydrazide
CID 70301
2,2-Diphenylacetamide
CID 78420
N-hydroxy-4-phenylbutanamide
CID 279980
Phenylalanine amide
CID 445694
5H-Dibenzo(a,d)cycloheptene-5-carboxamide
CID 25255
N-Methyl-2-phenylacetamide
CID 81274
N-hydroxy-2-phenylacetamide
CID 220184
2-Methyl-2-phenylpropanamide
CID 94713
1-Phenylcyclopentanecarboxamide
CID 97606
Ibuprofenamide
CID 101072

Frequently Asked Questions

What is the IUPAC name of 3-phenylpropanamide?
The IUPAC name of 3-phenylpropanamide (CID 7625) is 3-phenylpropanamide.
What is the SMILES notation for 3-phenylpropanamide?
The canonical SMILES for 3-phenylpropanamide is NC(=O)CCc1ccccc1.
What is the InChIKey of 3-phenylpropanamide?
The InChIKey is VYIBCOSBNVFEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11).
What are the key properties of 3-phenylpropanamide?
3-phenylpropanamide has a molecular weight of 149.19 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpropanamide is sourced from PubChem (CID 7625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).