3-methoxy-4-methyl-N-(3-methyl-2-phenylbutyl)benzamide

C20H25NO2 — CID 46441342

IUPAC3-methoxy-4-methyl-N-(3-methyl-2-phenylbutyl)benzamide
SMILESCOc1cc(C(=O)NCC(c2ccccc2)C(C)C)ccc1C
InChIInChI=1S/C20H25NO2/c1-14(2)18(16-8-6-5-7-9-16)13-21-20(22)17-11-10-15(3)19(12-17)23-4/h5-12,14,18H,13H2,1-4H3,(H,21,22)
InChIKeyWUTGKIJEPQLAAY-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.17
Rot. Bonds6

About 3-methoxy-4-methyl-N-(3-methyl-2-phenylbutyl)benzamide

3-methoxy-4-methyl-N-(3-methyl-2-phenylbutyl)benzamide (PubChem CID 46441342) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-methoxy-4-methyl-N-(3-methyl-2-phenylbutyl)benzamide.

Molecular Properties

Compound Name3-methoxy-4-methyl-N-(3-methyl-2-phenylbutyl)benzamide
PubChem CID46441342
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name3-methoxy-4-methyl-N-(3-methyl-2-phenylbutyl)benzamide
SMILESCOc1cc(C(=O)NCC(c2ccccc2)C(C)C)ccc1C
InChIInChI=1S/C20H25NO2/c1-14(2)18(16-8-6-5-7-9-16)13-21-20(22)17-11-10-15(3)19(12-17)23-4/h5-12,14,18H,13H2,1-4H3,(H,21,22)
InChIKeyWUTGKIJEPQLAAY-UHFFFAOYSA-N
XLogP4.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-hydroxy-2-phenylethyl]-3-methoxy-4-methylbenzamide
CID 93033692
3-ethoxy-4-methoxy-N-(3-methyl-2-phenylbutyl)benzamide
CID 46433040
3-methoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 26009148
N-(4-hydroxy-2-methylpentyl)-3-methoxy-4-methylbenzamide
CID 111447086
3-[[(3-methoxy-4-methylbenzoyl)amino]methyl]pentanoic acid
CID 81064154
3-bromo-N-(2-bromo-2-phenylethyl)-4-methoxybenzamide
CID 114308336
3-methoxy-4-methyl-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 18208620
2-bromo-5-methoxy-N-(3-methyl-2-phenylbutyl)benzamide
CID 46447047
N-(2-aminoethyl)-3-methoxy-4-methylbenzamide
CID 18071038
N-(2-amino-2-phenylethyl)-3,4-dimethylbenzamide
CID 63120465
4-ethoxy-3-methyl-N-[(2R)-2-phenylpropyl]benzamide
CID 100550465
4-butoxy-3-methoxy-N-[(2S)-2-phenylpropyl]benzamide
CID 9302117

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methyl-N-(3-methyl-2-phenylbutyl)benzamide?
The IUPAC name of 3-methoxy-4-methyl-N-(3-methyl-2-phenylbutyl)benzamide (CID 46441342) is 3-methoxy-4-methyl-N-(3-methyl-2-phenylbutyl)benzamide.
What is the SMILES notation for 3-methoxy-4-methyl-N-(3-methyl-2-phenylbutyl)benzamide?
The canonical SMILES for 3-methoxy-4-methyl-N-(3-methyl-2-phenylbutyl)benzamide is COc1cc(C(=O)NCC(c2ccccc2)C(C)C)ccc1C.
What is the InChIKey of 3-methoxy-4-methyl-N-(3-methyl-2-phenylbutyl)benzamide?
The InChIKey is WUTGKIJEPQLAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-14(2)18(16-8-6-5-7-9-16)13-21-20(22)17-11-10-15(3)19(12-17)23-4/h5-12,14,18H,13H2,1-4H3,(H,21,22).
What are the key properties of 3-methoxy-4-methyl-N-(3-methyl-2-phenylbutyl)benzamide?
3-methoxy-4-methyl-N-(3-methyl-2-phenylbutyl)benzamide has a molecular weight of 311.43 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methyl-N-(3-methyl-2-phenylbutyl)benzamide is sourced from PubChem (CID 46441342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).