N-(3,4-dimethoxyphenyl)-2-(3-methylbutoxy)benzamide

C20H25NO4 — CID 54781407

IUPACN-(3,4-dimethoxyphenyl)-2-(3-methylbutoxy)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2OCCC(C)C)cc1OC
InChIInChI=1S/C20H25NO4/c1-14(2)11-12-25-17-8-6-5-7-16(17)20(22)21-15-9-10-18(23-3)19(13-15)24-4/h5-10,13-14H,11-12H2,1-4H3,(H,21,22)
InChIKeyHELTYJLBZMROPI-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.38
Rot. Bonds8

About N-(3,4-dimethoxyphenyl)-2-(3-methylbutoxy)benzamide

N-(3,4-dimethoxyphenyl)-2-(3-methylbutoxy)benzamide (PubChem CID 54781407) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(3-methylbutoxy)benzamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(3-methylbutoxy)benzamide
PubChem CID54781407
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(3-methylbutoxy)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2OCCC(C)C)cc1OC
InChIInChI=1S/C20H25NO4/c1-14(2)11-12-25-17-8-6-5-7-16(17)20(22)21-15-9-10-18(23-3)19(13-15)24-4/h5-10,13-14H,11-12H2,1-4H3,(H,21,22)
InChIKeyHELTYJLBZMROPI-UHFFFAOYSA-N
XLogP4.38
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-2-(3-methylbutoxy)benzamide
CID 4943415
N-(3,4-dimethylphenyl)-2-[[2-(3-methylbutoxy)benzoyl]amino]benzamide
CID 4943608
2-methyl-N-[4-[[2-(3-methylbutoxy)benzoyl]amino]phenyl]benzamide
CID 17251615
N-(4-benzamidophenyl)-2-(3-methylbutoxy)benzamide
CID 17235412
2-(3-methylbutoxy)-N-[4-(propanoylamino)phenyl]benzamide
CID 17204895
3-methoxy-N'-(2-methoxybenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 25486360
N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 17355423
N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide
CID 4945530
2-(3-methylbutoxy)-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide
CID 26164686
2-(3-methylbutoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086733
2-(3-methylbutoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142197
N-(3-hexoxyphenyl)-2-(3-methylbutoxy)benzamide
CID 17094817

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(3-methylbutoxy)benzamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(3-methylbutoxy)benzamide (CID 54781407) is N-(3,4-dimethoxyphenyl)-2-(3-methylbutoxy)benzamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(3-methylbutoxy)benzamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(3-methylbutoxy)benzamide is COc1ccc(NC(=O)c2ccccc2OCCC(C)C)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(3-methylbutoxy)benzamide?
The InChIKey is HELTYJLBZMROPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-14(2)11-12-25-17-8-6-5-7-16(17)20(22)21-15-9-10-18(23-3)19(13-15)24-4/h5-10,13-14H,11-12H2,1-4H3,(H,21,22).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(3-methylbutoxy)benzamide?
N-(3,4-dimethoxyphenyl)-2-(3-methylbutoxy)benzamide has a molecular weight of 343.42 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-(3-methylbutoxy)benzamide is sourced from PubChem (CID 54781407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).