N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-methylbenzamide

C19H23NO2 — CID 113090429

IUPACN-[2-(4-methoxyphenyl)-2-methylpropyl]-3-methylbenzamide
SMILESCOc1ccc(C(C)(C)CNC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C19H23NO2/c1-14-6-5-7-15(12-14)18(21)20-13-19(2,3)16-8-10-17(22-4)11-9-16/h5-12H,13H2,1-4H3,(H,20,21)
InChIKeyQOXVKAIQIALTLH-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.71
Rot. Bonds5

About N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-methylbenzamide

N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-methylbenzamide (PubChem CID 113090429) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-methylpropyl]-3-methylbenzamide
PubChem CID113090429
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC NameN-[2-(4-methoxyphenyl)-2-methylpropyl]-3-methylbenzamide
SMILESCOc1ccc(C(C)(C)CNC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C19H23NO2/c1-14-6-5-7-15(12-14)18(21)20-13-19(2,3)16-8-10-17(22-4)11-9-16/h5-12H,13H2,1-4H3,(H,20,21)
InChIKeyQOXVKAIQIALTLH-UHFFFAOYSA-N
XLogP3.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-methylbenzamide
CID 108537853
3-[2-(dimethylamino)-2-oxoethoxy]-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 86866211
N-[2-(4-methoxyphenyl)-2-methylpropyl]-4-(trifluoromethyl)benzamide
CID 113090468
N-[2-(3-chlorophenyl)-2-methylpropyl]-3-methylbenzamide
CID 110441462
2-[4-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid
CID 138057931
4-(methoxymethyl)-N-[2-methyl-2-(3-methylphenyl)propyl]benzamide
CID 60599970
2-[3-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid
CID 119182911
N-[2-(4-bromophenyl)-2-hydroxypropyl]-3-methylbenzamide
CID 110291619
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-methylbenzamide
CID 110291494
2-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 113090470
[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] 3-methylbenzoate
CID 21337971
N-[(2,5-dimethoxyphenyl)methyl]-3-methylbenzamide
CID 33097699

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-methylbenzamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-methylbenzamide (CID 113090429) is N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-methylbenzamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-methylbenzamide is COc1ccc(C(C)(C)CNC(=O)c2cccc(C)c2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-methylbenzamide?
The InChIKey is QOXVKAIQIALTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-14-6-5-7-15(12-14)18(21)20-13-19(2,3)16-8-10-17(22-4)11-9-16/h5-12H,13H2,1-4H3,(H,20,21).
What are the key properties of N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-methylbenzamide?
N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-methylbenzamide has a molecular weight of 297.40 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-methylbenzamide is sourced from PubChem (CID 113090429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).