N-(5-oxo-4-phenylmethoxycyclohepta-1,3,6-trien-1-yl)acetamide

C16H15NO3 — CID 20503418

IUPACN-(5-oxo-4-phenylmethoxycyclohepta-1,3,6-trien-1-yl)acetamide
SMILESCC(=O)Nc1ccc(OCc2ccccc2)c(=O)cc1
InChIInChI=1S/C16H15NO3/c1-12(18)17-14-7-9-15(19)16(10-8-14)20-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,17,18)
InChIKeyAADSLHZOJHASKR-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.58
Rot. Bonds4

About N-(5-oxo-4-phenylmethoxycyclohepta-1,3,6-trien-1-yl)acetamide

N-(5-oxo-4-phenylmethoxycyclohepta-1,3,6-trien-1-yl)acetamide (PubChem CID 20503418) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(5-oxo-4-phenylmethoxycyclohepta-1,3,6-trien-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-oxo-4-phenylmethoxycyclohepta-1,3,6-trien-1-yl)acetamide
PubChem CID20503418
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC NameN-(5-oxo-4-phenylmethoxycyclohepta-1,3,6-trien-1-yl)acetamide
SMILESCC(=O)Nc1ccc(OCc2ccccc2)c(=O)cc1
InChIInChI=1S/C16H15NO3/c1-12(18)17-14-7-9-15(19)16(10-8-14)20-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,17,18)
InChIKeyAADSLHZOJHASKR-UHFFFAOYSA-N
XLogP2.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Benzyloxy)-2-methylpyridin-4(1H)-one
CID 2726416
6-nonyl-4-phenylmethoxy-1H-pyridin-2-one
CID 178310753
5-(benzyloxy)-4-hydroxy-N-(propan-2-yl)pyridine-2-carboxamide
CID 42442433
5-(benzyloxy)-N-isopropyl-4-oxo-4H-pyran-2-carboxamide
CID 42226901
5-(benzyloxy)-N-ethyl-1-methyl-4-oxo-1,4-dihydropyridine-2-carboxamide
CID 42440772
6-methyl-4-(2-phenylpropoxy)-1H-pyridin-2-one
CID 178302005
Ethyl 3-(benzyloxy)-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylate
CID 12089327
N-(2-{3-(benzyloxy)-2-methyl-4-oxopyridin-1(4H)-yl}ethyl)-2-methylprop-2-enamide
CID 134283988
3-(benzyloxymethyl)-5-ethyl-6-methyl-1H-pyridin-2-one
CID 493536
3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methylpyridin-2(1H)-one
CID 22050429
3-Chloro-4-(2,4-difluorobenzyloxy)-6-methyl-1H-pyridin-2-one
CID 22051050
2(1H)-Pyridinone, 4-[(2,4-difluorophenyl)methoxy]-6-methyl-
CID 22051141

Frequently Asked Questions

What is the IUPAC name of N-(5-oxo-4-phenylmethoxycyclohepta-1,3,6-trien-1-yl)acetamide?
The IUPAC name of N-(5-oxo-4-phenylmethoxycyclohepta-1,3,6-trien-1-yl)acetamide (CID 20503418) is N-(5-oxo-4-phenylmethoxycyclohepta-1,3,6-trien-1-yl)acetamide.
What is the SMILES notation for N-(5-oxo-4-phenylmethoxycyclohepta-1,3,6-trien-1-yl)acetamide?
The canonical SMILES for N-(5-oxo-4-phenylmethoxycyclohepta-1,3,6-trien-1-yl)acetamide is CC(=O)Nc1ccc(OCc2ccccc2)c(=O)cc1.
What is the InChIKey of N-(5-oxo-4-phenylmethoxycyclohepta-1,3,6-trien-1-yl)acetamide?
The InChIKey is AADSLHZOJHASKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-12(18)17-14-7-9-15(19)16(10-8-14)20-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,17,18).
What are the key properties of N-(5-oxo-4-phenylmethoxycyclohepta-1,3,6-trien-1-yl)acetamide?
N-(5-oxo-4-phenylmethoxycyclohepta-1,3,6-trien-1-yl)acetamide has a molecular weight of 269.30 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxo-4-phenylmethoxycyclohepta-1,3,6-trien-1-yl)acetamide is sourced from PubChem (CID 20503418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).