1-(3-acetamidophenyl)ethyl 8-oxononanoate

C19H27NO4 — CID 75456297

IUPAC1-(3-acetamidophenyl)ethyl 8-oxononanoate
SMILESCC(=O)CCCCCCC(=O)OC(C)c1cccc(NC(C)=O)c1
InChIInChI=1S/C19H27NO4/c1-14(21)9-6-4-5-7-12-19(23)24-15(2)17-10-8-11-18(13-17)20-16(3)22/h8,10-11,13,15H,4-7,9,12H2,1-3H3,(H,20,22)
InChIKeyBBBNBDBORACNPZ-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.18
Rot. Bonds10

About 1-(3-acetamidophenyl)ethyl 8-oxononanoate

1-(3-acetamidophenyl)ethyl 8-oxononanoate (PubChem CID 75456297) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-(3-acetamidophenyl)ethyl 8-oxononanoate.

Molecular Properties

Compound Name1-(3-acetamidophenyl)ethyl 8-oxononanoate
PubChem CID75456297
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Name1-(3-acetamidophenyl)ethyl 8-oxononanoate
SMILESCC(=O)CCCCCCC(=O)OC(C)c1cccc(NC(C)=O)c1
InChIInChI=1S/C19H27NO4/c1-14(21)9-6-4-5-7-12-19(23)24-15(2)17-10-8-11-18(13-17)20-16(3)22/h8,10-11,13,15H,4-7,9,12H2,1-3H3,(H,20,22)
InChIKeyBBBNBDBORACNPZ-UHFFFAOYSA-N
XLogP4.18
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-acetamidophenyl)ethyl 3-(ethoxycarbonylamino)propanoate
CID 47076060
methyl 4-[1-(3-acetamidophenyl)ethylamino]butanoate
CID 60782458
1-(3-acetamidophenyl)ethyl 2-phenylsulfanylpropanoate
CID 86825391
1-(3-acetamidophenyl)ethyl 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate
CID 48909568
N-[3-(4-oxopentoxy)phenyl]acetamide
CID 62030070
N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide
CID 54880254
[(1S)-1-(3-acetamidophenyl)ethyl] isoquinoline-1-carboxylate
CID 95905271
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
bis[1-[3-(prop-2-enoxycarbonylamino)phenyl]ethyl] carbonate
CID 139741048
[(1S)-1-(3-acetamidophenyl)ethyl] (2S,3R)-2-prop-1-en-2-yloxolane-3-carboxylate
CID 100700693
1-(3-acetamidophenyl)ethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 75395078
N-[3-[1-(5-hydroxypentylamino)ethyl]phenyl]acetamide
CID 55053195

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetamidophenyl)ethyl 8-oxononanoate?
The IUPAC name of 1-(3-acetamidophenyl)ethyl 8-oxononanoate (CID 75456297) is 1-(3-acetamidophenyl)ethyl 8-oxononanoate.
What is the SMILES notation for 1-(3-acetamidophenyl)ethyl 8-oxononanoate?
The canonical SMILES for 1-(3-acetamidophenyl)ethyl 8-oxononanoate is CC(=O)CCCCCCC(=O)OC(C)c1cccc(NC(C)=O)c1.
What is the InChIKey of 1-(3-acetamidophenyl)ethyl 8-oxononanoate?
The InChIKey is BBBNBDBORACNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-14(21)9-6-4-5-7-12-19(23)24-15(2)17-10-8-11-18(13-17)20-16(3)22/h8,10-11,13,15H,4-7,9,12H2,1-3H3,(H,20,22).
What are the key properties of 1-(3-acetamidophenyl)ethyl 8-oxononanoate?
1-(3-acetamidophenyl)ethyl 8-oxononanoate has a molecular weight of 333.43 g/mol, XLogP of 4.18, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetamidophenyl)ethyl 8-oxononanoate is sourced from PubChem (CID 75456297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).