bicyclo[2.2.0]hexa-1,3,5-triene;N-(2-phenylpropyl)acetamide

C17H19NO — CID 175348879

IUPACbicyclo[2.2.0]hexa-1,3,5-triene;N-(2-phenylpropyl)acetamide
SMILESCC(=O)NCC(C)c1ccccc1.c1cc2ccc1-2
InChIInChI=1S/C11H15NO.C6H4/c1-9(8-12-10(2)13)11-6-4-3-5-7-11;1-2-6-4-3-5(1)6/h3-7,9H,8H2,1-2H3,(H,12,13);1-4H
InChIKeyPBJZVCMWRKRELU-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.59
Rot. Bonds3

About bicyclo[2.2.0]hexa-1,3,5-triene;N-(2-phenylpropyl)acetamide

bicyclo[2.2.0]hexa-1,3,5-triene;N-(2-phenylpropyl)acetamide (PubChem CID 175348879) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1,3,5-triene;N-(2-phenylpropyl)acetamide.

Molecular Properties

Compound Namebicyclo[2.2.0]hexa-1,3,5-triene;N-(2-phenylpropyl)acetamide
PubChem CID175348879
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Namebicyclo[2.2.0]hexa-1,3,5-triene;N-(2-phenylpropyl)acetamide
SMILESCC(=O)NCC(C)c1ccccc1.c1cc2ccc1-2
InChIInChI=1S/C11H15NO.C6H4/c1-9(8-12-10(2)13)11-6-4-3-5-7-11;1-2-6-4-3-5(1)6/h3-7,9H,8H2,1-2H3,(H,12,13);1-4H
InChIKeyPBJZVCMWRKRELU-UHFFFAOYSA-N
XLogP3.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(4-hydroxyphenyl)propyl]acetamide
CID 14579439
2-iodo-N-(2-phenylpropyl)acetamide
CID 64787373
2-amino-N-(2-phenylpropyl)propanamide
CID 60703339
2-chloro-N-(2-phenylpropyl)propanamide
CID 4961581
4-methyl-N-[(2R)-2-phenylpropyl]benzamide
CID 9302175
(2S)-2-hydroxy-3-(2-phenylpropylcarbamoylamino)propanoic acid
CID 107840975
1-ethyl-1-methyl-3-[(2S)-2-phenylpropyl]urea
CID 97028200
N-[2-(4-phenylphenyl)propyl]pyridine-4-carboxamide
CID 59093479
[(2S)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2,2-diphenylacetate
CID 8578724
2-amino-3-methoxy-N-(2-phenylpropyl)propanamide
CID 81089279
(2R)-2-[2-oxo-2-(2-phenylpropylamino)ethoxy]propanoic acid
CID 104875498
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133512

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;N-(2-phenylpropyl)acetamide?
The IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;N-(2-phenylpropyl)acetamide (CID 175348879) is bicyclo[2.2.0]hexa-1,3,5-triene;N-(2-phenylpropyl)acetamide.
What is the SMILES notation for bicyclo[2.2.0]hexa-1,3,5-triene;N-(2-phenylpropyl)acetamide?
The canonical SMILES for bicyclo[2.2.0]hexa-1,3,5-triene;N-(2-phenylpropyl)acetamide is CC(=O)NCC(C)c1ccccc1.c1cc2ccc1-2.
What is the InChIKey of bicyclo[2.2.0]hexa-1,3,5-triene;N-(2-phenylpropyl)acetamide?
The InChIKey is PBJZVCMWRKRELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.C6H4/c1-9(8-12-10(2)13)11-6-4-3-5-7-11;1-2-6-4-3-5(1)6/h3-7,9H,8H2,1-2H3,(H,12,13);1-4H.
What are the key properties of bicyclo[2.2.0]hexa-1,3,5-triene;N-(2-phenylpropyl)acetamide?
bicyclo[2.2.0]hexa-1,3,5-triene;N-(2-phenylpropyl)acetamide has a molecular weight of 253.35 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.0]hexa-1,3,5-triene;N-(2-phenylpropyl)acetamide is sourced from PubChem (CID 175348879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).