N-(4-acetylphenyl)-3-(3-methylbutoxy)benzamide

C20H23NO3 — CID 4981645

IUPACN-(4-acetylphenyl)-3-(3-methylbutoxy)benzamide
SMILESCC(=O)c1ccc(NC(=O)c2cccc(OCCC(C)C)c2)cc1
InChIInChI=1S/C20H23NO3/c1-14(2)11-12-24-19-6-4-5-17(13-19)20(23)21-18-9-7-16(8-10-18)15(3)22/h4-10,13-14H,11-12H2,1-3H3,(H,21,23)
InChIKeyLYOJJJOYZOQCSL-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.57
Rot. Bonds7

About N-(4-acetylphenyl)-3-(3-methylbutoxy)benzamide

N-(4-acetylphenyl)-3-(3-methylbutoxy)benzamide (PubChem CID 4981645) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-(3-methylbutoxy)benzamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-(3-methylbutoxy)benzamide
PubChem CID4981645
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC NameN-(4-acetylphenyl)-3-(3-methylbutoxy)benzamide
SMILESCC(=O)c1ccc(NC(=O)c2cccc(OCCC(C)C)c2)cc1
InChIInChI=1S/C20H23NO3/c1-14(2)11-12-24-19-6-4-5-17(13-19)20(23)21-18-9-7-16(8-10-18)15(3)22/h4-10,13-14H,11-12H2,1-3H3,(H,21,23)
InChIKeyLYOJJJOYZOQCSL-UHFFFAOYSA-N
XLogP4.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylbutoxy)-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4981775
3-(3-methylbutoxy)-N-(4-propoxyphenyl)benzamide
CID 4981769
3-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide
CID 4981650
3-(3-methylbutoxy)-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 17218835
N-[4-[acetyl(methyl)amino]phenyl]-3-(3-methylbutoxy)benzamide
CID 4981647
N-(3,5-dimethylphenyl)-3-(3-methylbutoxy)benzamide
CID 4981665
3-(3-methylbutoxy)-N-(3-propoxyphenyl)benzamide
CID 17096779
3-(3-methylbutoxy)-N-(3-methylphenyl)benzamide
CID 4981633
N-(4-acetylphenyl)-3-(2-ethoxyethoxy)benzamide
CID 17139535
N-[4-(azepane-1-carbonyl)phenyl]-3-(3-methylbutoxy)benzamide
CID 17199103
3-methyl-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 4949751
3-chloro-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 4949868

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-(3-methylbutoxy)benzamide?
The IUPAC name of N-(4-acetylphenyl)-3-(3-methylbutoxy)benzamide (CID 4981645) is N-(4-acetylphenyl)-3-(3-methylbutoxy)benzamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-(3-methylbutoxy)benzamide?
The canonical SMILES for N-(4-acetylphenyl)-3-(3-methylbutoxy)benzamide is CC(=O)c1ccc(NC(=O)c2cccc(OCCC(C)C)c2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-(3-methylbutoxy)benzamide?
The InChIKey is LYOJJJOYZOQCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-14(2)11-12-24-19-6-4-5-17(13-19)20(23)21-18-9-7-16(8-10-18)15(3)22/h4-10,13-14H,11-12H2,1-3H3,(H,21,23).
What are the key properties of N-(4-acetylphenyl)-3-(3-methylbutoxy)benzamide?
N-(4-acetylphenyl)-3-(3-methylbutoxy)benzamide has a molecular weight of 325.41 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-(3-methylbutoxy)benzamide is sourced from PubChem (CID 4981645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).