3-(3-methylbutoxy)-N-(3-methylphenyl)benzamide

C19H23NO2 — CID 4981633

IUPAC3-(3-methylbutoxy)-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2cccc(OCCC(C)C)c2)c1
InChIInChI=1S/C19H23NO2/c1-14(2)10-11-22-18-9-5-7-16(13-18)19(21)20-17-8-4-6-15(3)12-17/h4-9,12-14H,10-11H2,1-3H3,(H,20,21)
InChIKeyHCSWAFZBGVCEIF-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.67
Rot. Bonds6

About 3-(3-methylbutoxy)-N-(3-methylphenyl)benzamide

3-(3-methylbutoxy)-N-(3-methylphenyl)benzamide (PubChem CID 4981633) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-(3-methylbutoxy)-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name3-(3-methylbutoxy)-N-(3-methylphenyl)benzamide
PubChem CID4981633
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name3-(3-methylbutoxy)-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2cccc(OCCC(C)C)c2)c1
InChIInChI=1S/C19H23NO2/c1-14(2)10-11-22-18-9-5-7-16(13-18)19(21)20-17-8-4-6-15(3)12-17/h4-9,12-14H,10-11H2,1-3H3,(H,20,21)
InChIKeyHCSWAFZBGVCEIF-UHFFFAOYSA-N
XLogP4.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-dimethylphenyl)-3-(3-methylbutoxy)benzamide
CID 4981665
3-(3-methylbutoxy)-N-(3-propoxyphenyl)benzamide
CID 17096779
3-methyl-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 4949751
N-(3-methylphenyl)-3-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 26164724
3-butan-2-yloxy-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17149831
3-(2-ethoxyethoxy)-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17139676
N-[3-(3-methylbutoxy)phenyl]-3-(2-phenylethoxy)benzamide
CID 17134436
N-(2-bromo-4-methylphenyl)-3-(3-methylbutoxy)benzamide
CID 54784402
3-(3-methylbutoxy)-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4981775
N-(4-acetylphenyl)-3-(3-methylbutoxy)benzamide
CID 4981645
2-(3-methylbutoxy)-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide
CID 26164686
3-methyl-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079530

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutoxy)-N-(3-methylphenyl)benzamide?
The IUPAC name of 3-(3-methylbutoxy)-N-(3-methylphenyl)benzamide (CID 4981633) is 3-(3-methylbutoxy)-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 3-(3-methylbutoxy)-N-(3-methylphenyl)benzamide?
The canonical SMILES for 3-(3-methylbutoxy)-N-(3-methylphenyl)benzamide is Cc1cccc(NC(=O)c2cccc(OCCC(C)C)c2)c1.
What is the InChIKey of 3-(3-methylbutoxy)-N-(3-methylphenyl)benzamide?
The InChIKey is HCSWAFZBGVCEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-14(2)10-11-22-18-9-5-7-16(13-18)19(21)20-17-8-4-6-15(3)12-17/h4-9,12-14H,10-11H2,1-3H3,(H,20,21).
What are the key properties of 3-(3-methylbutoxy)-N-(3-methylphenyl)benzamide?
3-(3-methylbutoxy)-N-(3-methylphenyl)benzamide has a molecular weight of 297.40 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutoxy)-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 4981633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).