bicyclo[4.1.0]hepta-1,3,5-triene;2-hydroxy-N-(4-methoxyphenyl)acetamide

C16H17NO3 — CID 67711716

IUPACbicyclo[4.1.0]hepta-1,3,5-triene;2-hydroxy-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CO)cc1.c1ccc2c(c1)C2
InChIInChI=1S/C9H11NO3.C7H6/c1-13-8-4-2-7(3-5-8)10-9(12)6-11;1-2-4-7-5-6(7)3-1/h2-5,11H,6H2,1H3,(H,10,12);1-4H,5H2
InChIKeyYOAJOVYIRWZTOU-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.22
Rot. Bonds3

About bicyclo[4.1.0]hepta-1,3,5-triene;2-hydroxy-N-(4-methoxyphenyl)acetamide

bicyclo[4.1.0]hepta-1,3,5-triene;2-hydroxy-N-(4-methoxyphenyl)acetamide (PubChem CID 67711716) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is bicyclo[4.1.0]hepta-1,3,5-triene;2-hydroxy-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Namebicyclo[4.1.0]hepta-1,3,5-triene;2-hydroxy-N-(4-methoxyphenyl)acetamide
PubChem CID67711716
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Namebicyclo[4.1.0]hepta-1,3,5-triene;2-hydroxy-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CO)cc1.c1ccc2c(c1)C2
InChIInChI=1S/C9H11NO3.C7H6/c1-13-8-4-2-7(3-5-8)10-9(12)6-11;1-2-4-7-5-6(7)3-1/h2-5,11H,6H2,1H3,(H,10,12);1-4H,5H2
InChIKeyYOAJOVYIRWZTOU-UHFFFAOYSA-N
XLogP2.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
N-(4-methoxyphenyl)-2-pyridin-4-ylacetamide
CID 110697333
4-(4-methoxyanilino)-4-oxobutanoyl chloride
CID 82041607
N-(4-methoxyphenyl)-2-(2-methylphenyl)acetamide
CID 6467093
6-(4-methoxyanilino)-6-oxohexanoic acid
CID 19422065
2-cyclopropyl-N-(4-methoxyphenyl)acetamide
CID 3008382
N-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
CID 112509722
2-(2-bromophenyl)-N-(4-methoxyphenyl)acetamide
CID 51057355
N-(4-methoxyphenyl)-3-(4-phenoxyanilino)propanamide
CID 109039635
3-(2-hydroxyphenyl)-N-(4-methoxyphenyl)-3-methylbutanamide
CID 14697705

Frequently Asked Questions

What is the IUPAC name of bicyclo[4.1.0]hepta-1,3,5-triene;2-hydroxy-N-(4-methoxyphenyl)acetamide?
The IUPAC name of bicyclo[4.1.0]hepta-1,3,5-triene;2-hydroxy-N-(4-methoxyphenyl)acetamide (CID 67711716) is bicyclo[4.1.0]hepta-1,3,5-triene;2-hydroxy-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for bicyclo[4.1.0]hepta-1,3,5-triene;2-hydroxy-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for bicyclo[4.1.0]hepta-1,3,5-triene;2-hydroxy-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CO)cc1.c1ccc2c(c1)C2.
What is the InChIKey of bicyclo[4.1.0]hepta-1,3,5-triene;2-hydroxy-N-(4-methoxyphenyl)acetamide?
The InChIKey is YOAJOVYIRWZTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3.C7H6/c1-13-8-4-2-7(3-5-8)10-9(12)6-11;1-2-4-7-5-6(7)3-1/h2-5,11H,6H2,1H3,(H,10,12);1-4H,5H2.
What are the key properties of bicyclo[4.1.0]hepta-1,3,5-triene;2-hydroxy-N-(4-methoxyphenyl)acetamide?
bicyclo[4.1.0]hepta-1,3,5-triene;2-hydroxy-N-(4-methoxyphenyl)acetamide has a molecular weight of 271.32 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[4.1.0]hepta-1,3,5-triene;2-hydroxy-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 67711716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).