2-(5-acetyl-2-methoxyphenyl)-N-pentylacetamide

C16H23NO3 — CID 78791662

IUPAC2-(5-acetyl-2-methoxyphenyl)-N-pentylacetamide
SMILESCCCCCNC(=O)Cc1cc(C(C)=O)ccc1OC
InChIInChI=1S/C16H23NO3/c1-4-5-6-9-17-16(19)11-14-10-13(12(2)18)7-8-15(14)20-3/h7-8,10H,4-6,9,11H2,1-3H3,(H,17,19)
InChIKeyLWPPGIKZENRAMW-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.75
Rot. Bonds8

About 2-(5-acetyl-2-methoxyphenyl)-N-pentylacetamide

2-(5-acetyl-2-methoxyphenyl)-N-pentylacetamide (PubChem CID 78791662) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-(5-acetyl-2-methoxyphenyl)-N-pentylacetamide.

Molecular Properties

Compound Name2-(5-acetyl-2-methoxyphenyl)-N-pentylacetamide
PubChem CID78791662
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-(5-acetyl-2-methoxyphenyl)-N-pentylacetamide
SMILESCCCCCNC(=O)Cc1cc(C(C)=O)ccc1OC
InChIInChI=1S/C16H23NO3/c1-4-5-6-9-17-16(19)11-14-10-13(12(2)18)7-8-15(14)20-3/h7-8,10H,4-6,9,11H2,1-3H3,(H,17,19)
InChIKeyLWPPGIKZENRAMW-UHFFFAOYSA-N
XLogP2.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-acetyl-2-methoxyphenyl)-N-(3-aminopropyl)acetamide
CID 119404836
2-(5-acetyl-2-methoxyphenyl)-N-(3-ethoxypropyl)acetamide
CID 78789004
2-(5-acetyl-2-methoxyphenyl)-N-[3-(methylamino)propyl]acetamide;hydrochloride
CID 119429487
2-[(S)-(5-acetyl-2-methoxyphenyl)methylsulfinyl]-N-pentylacetamide
CID 97098338
2-(5-acetyl-2-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide
CID 46536768
N-heptyl-2-(2-methoxyphenyl)acetamide
CID 3375995
2-(5-acetyl-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 30843339
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(5-acetyl-2-methoxyphenyl)acetate
CID 8534636
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
2-(5-acetyl-2-methoxyphenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 31146981
2-(5-acetyl-2-methoxyphenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120830590

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-pentylacetamide?
The IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-pentylacetamide (CID 78791662) is 2-(5-acetyl-2-methoxyphenyl)-N-pentylacetamide.
What is the SMILES notation for 2-(5-acetyl-2-methoxyphenyl)-N-pentylacetamide?
The canonical SMILES for 2-(5-acetyl-2-methoxyphenyl)-N-pentylacetamide is CCCCCNC(=O)Cc1cc(C(C)=O)ccc1OC.
What is the InChIKey of 2-(5-acetyl-2-methoxyphenyl)-N-pentylacetamide?
The InChIKey is LWPPGIKZENRAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-5-6-9-17-16(19)11-14-10-13(12(2)18)7-8-15(14)20-3/h7-8,10H,4-6,9,11H2,1-3H3,(H,17,19).
What are the key properties of 2-(5-acetyl-2-methoxyphenyl)-N-pentylacetamide?
2-(5-acetyl-2-methoxyphenyl)-N-pentylacetamide has a molecular weight of 277.36 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-2-methoxyphenyl)-N-pentylacetamide is sourced from PubChem (CID 78791662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).