anisole;propanamide

C10H15NO2 — CID 159387798

IUPACanisole;propanamide
SMILESCCC(N)=O.COc1ccccc1
InChIInChI=1S/C7H8O.C3H7NO/c1-8-7-5-3-2-4-6-7;1-2-3(4)5/h2-6H,1H3;2H2,1H3,(H2,4,5)
InChIKeyLLSKROGTHDBQRS-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.58
Rot. Bonds2

About anisole;propanamide

anisole;propanamide (PubChem CID 159387798) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is anisole;propanamide.

Molecular Properties

Compound Nameanisole;propanamide
PubChem CID159387798
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Nameanisole;propanamide
SMILESCCC(N)=O.COc1ccccc1
InChIInChI=1S/C7H8O.C3H7NO/c1-8-7-5-3-2-4-6-7;1-2-3(4)5/h2-6H,1H3;2H2,1H3,(H2,4,5)
InChIKeyLLSKROGTHDBQRS-UHFFFAOYSA-N
XLogP1.58
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

anisole;butan-2-one
CID 67379528
anisole;guanidine
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anisole;ethane;propan-2-one
CID 164986667
1,1'-biphenyl;propanamide
CID 155213147
anisole;1-phenylpropan-1-one;propan-2-one
CID 174786879
anisole;ethyl 2-methylpropanoate
CID 177064087
anisole;argon;propane
CID 165043377
anisole;2-fluoroacetic acid
CID 160781746
anisole;2-oxoethyl carbamate
CID 174834133
anisole;trihydrofluoride
CID 174796385
CID 172685187
CID 172685187
anisole;hydrochloride
CID 158800007

Frequently Asked Questions

What is the IUPAC name of anisole;propanamide?
The IUPAC name of anisole;propanamide (CID 159387798) is anisole;propanamide.
What is the SMILES notation for anisole;propanamide?
The canonical SMILES for anisole;propanamide is CCC(N)=O.COc1ccccc1.
What is the InChIKey of anisole;propanamide?
The InChIKey is LLSKROGTHDBQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C3H7NO/c1-8-7-5-3-2-4-6-7;1-2-3(4)5/h2-6H,1H3;2H2,1H3,(H2,4,5).
What are the key properties of anisole;propanamide?
anisole;propanamide has a molecular weight of 181.23 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;propanamide is sourced from PubChem (CID 159387798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).