3-methyl-N-[4-(3-methylbutoxy)phenyl]benzamide

C19H23NO2 — CID 4949751

IUPAC3-methyl-N-[4-(3-methylbutoxy)phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(OCCC(C)C)cc2)c1
InChIInChI=1S/C19H23NO2/c1-14(2)11-12-22-18-9-7-17(8-10-18)20-19(21)16-6-4-5-15(3)13-16/h4-10,13-14H,11-12H2,1-3H3,(H,20,21)
InChIKeyZNICDBRLMGHLNL-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.67
Rot. Bonds6

About 3-methyl-N-[4-(3-methylbutoxy)phenyl]benzamide

3-methyl-N-[4-(3-methylbutoxy)phenyl]benzamide (PubChem CID 4949751) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-methyl-N-[4-(3-methylbutoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[4-(3-methylbutoxy)phenyl]benzamide
PubChem CID4949751
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name3-methyl-N-[4-(3-methylbutoxy)phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(OCCC(C)C)cc2)c1
InChIInChI=1S/C19H23NO2/c1-14(2)11-12-22-18-9-7-17(8-10-18)20-19(21)16-6-4-5-15(3)13-16/h4-10,13-14H,11-12H2,1-3H3,(H,20,21)
InChIKeyZNICDBRLMGHLNL-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

3-(3-methylbutoxy)-N-(3-methylphenyl)benzamide
CID 4981633
3-chloro-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 4949868
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
N-(3,5-dimethylphenyl)-3-(3-methylbutoxy)benzamide
CID 4981665
N-(4-acetylphenyl)-3-(3-methylbutoxy)benzamide
CID 4981645
4-(aminomethyl)-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 119331702
N-(4-anilinophenyl)-4-(3-methylbutoxy)benzamide
CID 4948110
3-methyl-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17097596
N-[3-[[2-[4-(3-methylbutoxy)anilino]acetyl]amino]phenyl]benzamide
CID 54821922
3-bromo-4-(3-methylbutoxy)-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 17339461

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(3-methylbutoxy)phenyl]benzamide?
The IUPAC name of 3-methyl-N-[4-(3-methylbutoxy)phenyl]benzamide (CID 4949751) is 3-methyl-N-[4-(3-methylbutoxy)phenyl]benzamide.
What is the SMILES notation for 3-methyl-N-[4-(3-methylbutoxy)phenyl]benzamide?
The canonical SMILES for 3-methyl-N-[4-(3-methylbutoxy)phenyl]benzamide is Cc1cccc(C(=O)Nc2ccc(OCCC(C)C)cc2)c1.
What is the InChIKey of 3-methyl-N-[4-(3-methylbutoxy)phenyl]benzamide?
The InChIKey is ZNICDBRLMGHLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-14(2)11-12-22-18-9-7-17(8-10-18)20-19(21)16-6-4-5-15(3)13-16/h4-10,13-14H,11-12H2,1-3H3,(H,20,21).
What are the key properties of 3-methyl-N-[4-(3-methylbutoxy)phenyl]benzamide?
3-methyl-N-[4-(3-methylbutoxy)phenyl]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-methyl-N-[4-(3-methylbutoxy)phenyl]benzamide is sourced from PubChem (CID 4949751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).