N-(4-acetylphenyl)-2-methoxy-4,6-dimethylbenzamide

C18H19NO3 — CID 110764978

IUPACN-(4-acetylphenyl)-2-methoxy-4,6-dimethylbenzamide
SMILESCOc1cc(C)cc(C)c1C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C18H19NO3/c1-11-9-12(2)17(16(10-11)22-4)18(21)19-15-7-5-14(6-8-15)13(3)20/h5-10H,1-4H3,(H,19,21)
InChIKeyBXHLAFXVSRCQDM-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.77
Rot. Bonds4

About N-(4-acetylphenyl)-2-methoxy-4,6-dimethylbenzamide

N-(4-acetylphenyl)-2-methoxy-4,6-dimethylbenzamide (PubChem CID 110764978) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-methoxy-4,6-dimethylbenzamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-methoxy-4,6-dimethylbenzamide
PubChem CID110764978
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC NameN-(4-acetylphenyl)-2-methoxy-4,6-dimethylbenzamide
SMILESCOc1cc(C)cc(C)c1C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C18H19NO3/c1-11-9-12(2)17(16(10-11)22-4)18(21)19-15-7-5-14(6-8-15)13(3)20/h5-10H,1-4H3,(H,19,21)
InChIKeyBXHLAFXVSRCQDM-UHFFFAOYSA-N
XLogP3.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-carbamoylphenyl)-2-methoxy-4,6-dimethylbenzamide
CID 110764976
N-(4-acetylphenyl)-2-fluoro-6-methoxybenzamide
CID 65434404
N-(4-methoxyphenyl)-4-(2,4,6-trimethylbenzoyl)benzamide
CID 1068398
4-acetamido-N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]benzamide
CID 110796029
1-N-(4-acetylphenyl)-4-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109049646
3-methoxy-4-methyl-N-(4-methylphenyl)benzamide
CID 9071746
N-(4-acetylphenyl)-5-ethyl-2-methoxybenzamide
CID 110762005
ethane;4-methoxy-3-methyl-N-(4-methylphenyl)benzamide
CID 54213440
N-(4-acetylphenyl)-3-bromo-5-methylbenzamide
CID 104851617
1-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)urea
CID 17265364
3-chloro-4-methoxy-N-(4-methylphenyl)benzamide
CID 2976183
N-(5-bromo-2-pyridinyl)-2-methoxy-4,6-dimethylbenzamide
CID 115274010

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-methoxy-4,6-dimethylbenzamide?
The IUPAC name of N-(4-acetylphenyl)-2-methoxy-4,6-dimethylbenzamide (CID 110764978) is N-(4-acetylphenyl)-2-methoxy-4,6-dimethylbenzamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-methoxy-4,6-dimethylbenzamide?
The canonical SMILES for N-(4-acetylphenyl)-2-methoxy-4,6-dimethylbenzamide is COc1cc(C)cc(C)c1C(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-methoxy-4,6-dimethylbenzamide?
The InChIKey is BXHLAFXVSRCQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-11-9-12(2)17(16(10-11)22-4)18(21)19-15-7-5-14(6-8-15)13(3)20/h5-10H,1-4H3,(H,19,21).
What are the key properties of N-(4-acetylphenyl)-2-methoxy-4,6-dimethylbenzamide?
N-(4-acetylphenyl)-2-methoxy-4,6-dimethylbenzamide has a molecular weight of 297.35 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-methoxy-4,6-dimethylbenzamide is sourced from PubChem (CID 110764978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).