4-methoxy-2-methyl-N-(2-methylpropyl)-5-propan-2-ylbenzamide

C16H25NO2 — CID 83405819

IUPAC4-methoxy-2-methyl-N-(2-methylpropyl)-5-propan-2-ylbenzamide
SMILESCOc1cc(C)c(C(=O)NCC(C)C)cc1C(C)C
InChIInChI=1S/C16H25NO2/c1-10(2)9-17-16(18)14-8-13(11(3)4)15(19-6)7-12(14)5/h7-8,10-11H,9H2,1-6H3,(H,17,18)
InChIKeyCRSAREQXNGGNIB-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.51
Rot. Bonds5

About 4-methoxy-2-methyl-N-(2-methylpropyl)-5-propan-2-ylbenzamide

4-methoxy-2-methyl-N-(2-methylpropyl)-5-propan-2-ylbenzamide (PubChem CID 83405819) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-(2-methylpropyl)-5-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-(2-methylpropyl)-5-propan-2-ylbenzamide
PubChem CID83405819
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-methoxy-2-methyl-N-(2-methylpropyl)-5-propan-2-ylbenzamide
SMILESCOc1cc(C)c(C(=O)NCC(C)C)cc1C(C)C
InChIInChI=1S/C16H25NO2/c1-10(2)9-17-16(18)14-8-13(11(3)4)15(19-6)7-12(14)5/h7-8,10-11H,9H2,1-6H3,(H,17,18)
InChIKeyCRSAREQXNGGNIB-UHFFFAOYSA-N
XLogP3.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-acetamidoethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 110761820
4-methoxy-N',2-dimethyl-5-propan-2-ylbenzohydrazide
CID 116846868
4-methoxy-2-methyl-N-[(2R)-3-methylbutan-2-yl]-5-propan-2-ylbenzamide
CID 100573271
N-(2-tert-butylsulfanylethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100713562
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methylbutan-1-one
CID 94978273
4-methoxy-2-methyl-N-[3-(4-methylphenyl)propyl]-5-propan-2-ylbenzamide
CID 100714446
N-[(3,4-diethoxyphenyl)methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100715734
4-methoxy-2-methyl-N-phenyl-5-propan-2-ylbenzamide
CID 83407606
N-(3,5-dichlorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100712843
3-chloro-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propan-1-one
CID 94978468
4,5-dimethoxy-2-methyl-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120827462
4-methoxy-2-methyl-N-[(1S)-3-methyl-1-phenylbutyl]-5-propan-2-ylbenzamide
CID 100715050

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-(2-methylpropyl)-5-propan-2-ylbenzamide?
The IUPAC name of 4-methoxy-2-methyl-N-(2-methylpropyl)-5-propan-2-ylbenzamide (CID 83405819) is 4-methoxy-2-methyl-N-(2-methylpropyl)-5-propan-2-ylbenzamide.
What is the SMILES notation for 4-methoxy-2-methyl-N-(2-methylpropyl)-5-propan-2-ylbenzamide?
The canonical SMILES for 4-methoxy-2-methyl-N-(2-methylpropyl)-5-propan-2-ylbenzamide is COc1cc(C)c(C(=O)NCC(C)C)cc1C(C)C.
What is the InChIKey of 4-methoxy-2-methyl-N-(2-methylpropyl)-5-propan-2-ylbenzamide?
The InChIKey is CRSAREQXNGGNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-10(2)9-17-16(18)14-8-13(11(3)4)15(19-6)7-12(14)5/h7-8,10-11H,9H2,1-6H3,(H,17,18).
What are the key properties of 4-methoxy-2-methyl-N-(2-methylpropyl)-5-propan-2-ylbenzamide?
4-methoxy-2-methyl-N-(2-methylpropyl)-5-propan-2-ylbenzamide has a molecular weight of 263.38 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-(2-methylpropyl)-5-propan-2-ylbenzamide is sourced from PubChem (CID 83405819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).