N-(1-methyl-4-phenacyloxycyclohexa-2,4-dien-1-yl)acetamide

C17H19NO3 — CID 86737702

IUPACN-(1-methyl-4-phenacyloxycyclohexa-2,4-dien-1-yl)acetamide
SMILESCC(=O)NC1(C)C=CC(OCC(=O)c2ccccc2)=CC1
InChIInChI=1S/C17H19NO3/c1-13(19)18-17(2)10-8-15(9-11-17)21-12-16(20)14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyWMGMODMIEOALQE-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.62
Rot. Bonds5

About N-(1-methyl-4-phenacyloxycyclohexa-2,4-dien-1-yl)acetamide

N-(1-methyl-4-phenacyloxycyclohexa-2,4-dien-1-yl)acetamide (PubChem CID 86737702) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-(1-methyl-4-phenacyloxycyclohexa-2,4-dien-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-methyl-4-phenacyloxycyclohexa-2,4-dien-1-yl)acetamide
PubChem CID86737702
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-(1-methyl-4-phenacyloxycyclohexa-2,4-dien-1-yl)acetamide
SMILESCC(=O)NC1(C)C=CC(OCC(=O)c2ccccc2)=CC1
InChIInChI=1S/C17H19NO3/c1-13(19)18-17(2)10-8-15(9-11-17)21-12-16(20)14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyWMGMODMIEOALQE-UHFFFAOYSA-N
XLogP2.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-phenacyloxyphenoxy)-1-phenylethanone
CID 962120
2-(2-hydroxy-3,4,5,6-tetramethylphenoxy)-1-phenylethanone
CID 20613046
(2-phenacyloxyphenyl) acetate
CID 2303836
2-(2-tert-butyl-5-methylphenoxy)-1-phenylethanone
CID 43426881
2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-1-phenylethanone
CID 139924242
2-phenacyloxy-1-phenylethanone
CID 12781821
2-(2,6-dibromo-4-methylphenoxy)-1-phenylethanone
CID 8914654
(E)-3,4-dimethyl-1,6-diphenylhex-3-ene-1,6-dione
CID 175490390
phenol;2-phenoxy-1-phenylethanone
CID 161484281
2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]-1-phenylethanone
CID 134064664
1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone
CID 71329524
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-4-phenacyloxycyclohexa-2,4-dien-1-yl)acetamide?
The IUPAC name of N-(1-methyl-4-phenacyloxycyclohexa-2,4-dien-1-yl)acetamide (CID 86737702) is N-(1-methyl-4-phenacyloxycyclohexa-2,4-dien-1-yl)acetamide.
What is the SMILES notation for N-(1-methyl-4-phenacyloxycyclohexa-2,4-dien-1-yl)acetamide?
The canonical SMILES for N-(1-methyl-4-phenacyloxycyclohexa-2,4-dien-1-yl)acetamide is CC(=O)NC1(C)C=CC(OCC(=O)c2ccccc2)=CC1.
What is the InChIKey of N-(1-methyl-4-phenacyloxycyclohexa-2,4-dien-1-yl)acetamide?
The InChIKey is WMGMODMIEOALQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-13(19)18-17(2)10-8-15(9-11-17)21-12-16(20)14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,18,19).
What are the key properties of N-(1-methyl-4-phenacyloxycyclohexa-2,4-dien-1-yl)acetamide?
N-(1-methyl-4-phenacyloxycyclohexa-2,4-dien-1-yl)acetamide has a molecular weight of 285.34 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-4-phenacyloxycyclohexa-2,4-dien-1-yl)acetamide is sourced from PubChem (CID 86737702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).