3,4-dimethoxy-N-(2-methylbutan-2-yl)benzamide

C14H21NO3 — CID 3297993

IUPAC3,4-dimethoxy-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H21NO3/c1-6-14(2,3)15-13(16)10-7-8-11(17-4)12(9-10)18-5/h7-9H,6H2,1-5H3,(H,15,16)
InChIKeyPZUHDGHOKMGNGX-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.62
Rot. Bonds5

About 3,4-dimethoxy-N-(2-methylbutan-2-yl)benzamide

3,4-dimethoxy-N-(2-methylbutan-2-yl)benzamide (PubChem CID 3297993) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(2-methylbutan-2-yl)benzamide
PubChem CID3297993
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name3,4-dimethoxy-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H21NO3/c1-6-14(2,3)15-13(16)10-7-8-11(17-4)12(9-10)18-5/h7-9H,6H2,1-5H3,(H,15,16)
InChIKeyPZUHDGHOKMGNGX-UHFFFAOYSA-N
XLogP2.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanopentan-3-yl)-3,4-dimethoxybenzamide
CID 61119027
N-[3-(chloromethyl)pentan-3-yl]-3,4-dimethoxybenzamide
CID 114304525
3,4,5-trimethoxy-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 55891061
3-(cyclopropylsulfamoyl)-4-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 46554772
3-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 5204623
3-(azepan-1-ylsulfonyl)-4-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 26880737
3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-4-methoxybenzamide
CID 43498513
5-amino-2-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 61091450
3-bromo-N-(1-chloro-2-methylpropan-2-yl)-4-methoxybenzamide
CID 114295158
3,4-dimethoxy-N'-propanoylbenzohydrazide
CID 785401
N'-(2,2-dimethylpropanoyl)-3,4-dimethoxybenzohydrazide
CID 873947
3,4-dimethoxy-N-sulfanylbenzamide
CID 71771275

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(2-methylbutan-2-yl)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(2-methylbutan-2-yl)benzamide (CID 3297993) is 3,4-dimethoxy-N-(2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(2-methylbutan-2-yl)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(2-methylbutan-2-yl)benzamide is CCC(C)(C)NC(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 3,4-dimethoxy-N-(2-methylbutan-2-yl)benzamide?
The InChIKey is PZUHDGHOKMGNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-6-14(2,3)15-13(16)10-7-8-11(17-4)12(9-10)18-5/h7-9H,6H2,1-5H3,(H,15,16).
What are the key properties of 3,4-dimethoxy-N-(2-methylbutan-2-yl)benzamide?
3,4-dimethoxy-N-(2-methylbutan-2-yl)benzamide has a molecular weight of 251.33 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 3297993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).