bicyclo[2.2.0]hexa-1,3,5-triene;2-phenyl-N-propylacetamide

C17H19NO — CID 175085430

IUPACbicyclo[2.2.0]hexa-1,3,5-triene;2-phenyl-N-propylacetamide
SMILESCCCNC(=O)Cc1ccccc1.c1cc2ccc1-2
InChIInChI=1S/C11H15NO.C6H4/c1-2-8-12-11(13)9-10-6-4-3-5-7-10;1-2-6-4-3-5(1)6/h3-7H,2,8-9H2,1H3,(H,12,13);1-4H
InChIKeyTYTKOHQUJNQRAH-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.42
Rot. Bonds4

About bicyclo[2.2.0]hexa-1,3,5-triene;2-phenyl-N-propylacetamide

bicyclo[2.2.0]hexa-1,3,5-triene;2-phenyl-N-propylacetamide (PubChem CID 175085430) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1,3,5-triene;2-phenyl-N-propylacetamide.

Molecular Properties

Compound Namebicyclo[2.2.0]hexa-1,3,5-triene;2-phenyl-N-propylacetamide
PubChem CID175085430
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Namebicyclo[2.2.0]hexa-1,3,5-triene;2-phenyl-N-propylacetamide
SMILESCCCNC(=O)Cc1ccccc1.c1cc2ccc1-2
InChIInChI=1S/C11H15NO.C6H4/c1-2-8-12-11(13)9-10-6-4-3-5-7-10;1-2-6-4-3-5(1)6/h3-7H,2,8-9H2,1H3,(H,12,13);1-4H
InChIKeyTYTKOHQUJNQRAH-UHFFFAOYSA-N
XLogP3.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

benzene;molecular hydrogen;2-phenyl-N-propylacetamide
CID 144955399
2-[[2-(4-phenylphenyl)acetyl]amino]-N-propylbenzamide
CID 31288816
2-oxo-3-phenyl-N-propylpropanamide
CID 68696691
N'-benzyl-N-propylpropanediamide
CID 108940601
N-(2-methoxyethyl)-2-(4-phenylphenyl)acetamide
CID 2094675
2-(4-phenylanilino)-N-propylacetamide
CID 47117859
N-[2-(hexylamino)-2-oxoethyl]-2-phenylacetamide
CID 78801953
methyl-[2-oxo-2-(propylamino)ethyl]-[(4-phenylphenyl)methyl]azanium
CID 9302756
2-(4-phenylphenyl)-N-[2-(4-propylphenoxy)ethyl]acetamide
CID 100517253
2-(3-bromophenyl)-N-propylacetamide
CID 4084138
2-(3-aminophenyl)-N-propylacetamide
CID 28689659
2-phenyl-N-[[(2-phenylacetyl)amino]methyl]acetamide
CID 13210427

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;2-phenyl-N-propylacetamide?
The IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;2-phenyl-N-propylacetamide (CID 175085430) is bicyclo[2.2.0]hexa-1,3,5-triene;2-phenyl-N-propylacetamide.
What is the SMILES notation for bicyclo[2.2.0]hexa-1,3,5-triene;2-phenyl-N-propylacetamide?
The canonical SMILES for bicyclo[2.2.0]hexa-1,3,5-triene;2-phenyl-N-propylacetamide is CCCNC(=O)Cc1ccccc1.c1cc2ccc1-2.
What is the InChIKey of bicyclo[2.2.0]hexa-1,3,5-triene;2-phenyl-N-propylacetamide?
The InChIKey is TYTKOHQUJNQRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.C6H4/c1-2-8-12-11(13)9-10-6-4-3-5-7-10;1-2-6-4-3-5(1)6/h3-7H,2,8-9H2,1H3,(H,12,13);1-4H.
What are the key properties of bicyclo[2.2.0]hexa-1,3,5-triene;2-phenyl-N-propylacetamide?
bicyclo[2.2.0]hexa-1,3,5-triene;2-phenyl-N-propylacetamide has a molecular weight of 253.34 g/mol, XLogP of 3.42, 4 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;2-phenyl-N-propylacetamide is sourced from PubChem (CID 175085430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).