N-[4-(butanoylamino)phenyl]-2,6-dimethoxybenzamide

C19H22N2O4 — CID 954631

IUPACN-[4-(butanoylamino)phenyl]-2,6-dimethoxybenzamide
SMILESCCCC(=O)Nc1ccc(NC(=O)c2c(OC)cccc2OC)cc1
InChIInChI=1S/C19H22N2O4/c1-4-6-17(22)20-13-9-11-14(12-10-13)21-19(23)18-15(24-2)7-5-8-16(18)25-3/h5,7-12H,4,6H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyAAHAVLUNCMWXKK-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.69
Rot. Bonds7

About N-[4-(butanoylamino)phenyl]-2,6-dimethoxybenzamide

N-[4-(butanoylamino)phenyl]-2,6-dimethoxybenzamide (PubChem CID 954631) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[4-(butanoylamino)phenyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(butanoylamino)phenyl]-2,6-dimethoxybenzamide
PubChem CID954631
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN-[4-(butanoylamino)phenyl]-2,6-dimethoxybenzamide
SMILESCCCC(=O)Nc1ccc(NC(=O)c2c(OC)cccc2OC)cc1
InChIInChI=1S/C19H22N2O4/c1-4-6-17(22)20-13-9-11-14(12-10-13)21-19(23)18-15(24-2)7-5-8-16(18)25-3/h5,7-12H,4,6H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyAAHAVLUNCMWXKK-UHFFFAOYSA-N
XLogP3.69
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethoxy-N-[3-(pentanoylamino)phenyl]benzamide
CID 21229671
N-(4-ethylphenyl)-2,6-dimethoxybenzamide
CID 596670
N-[4-[[2-(tert-butylamino)acetyl]amino]phenyl]-2,6-dimethoxybenzamide
CID 139887384
N-(4-iodophenyl)-2,6-dimethoxybenzamide
CID 1019212
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
methyl 3-[[4-(butanoylamino)phenyl]carbamoyl]benzoate
CID 17202591
methyl N-[4-(butanoylamino)phenyl]carbamate
CID 47251296
N-(4-carbamoylphenyl)-2,6-dimethoxybenzamide
CID 4126051
N-[4-(benzylamino)phenyl]-2,6-dimethoxybenzamide
CID 112981913
2,6-dimethoxy-N-(4-sulfamoylphenyl)benzamide
CID 954656
N-[4-(1-aminoethyl)phenyl]-2,6-dimethoxybenzamide
CID 43822918
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969

Frequently Asked Questions

What is the IUPAC name of N-[4-(butanoylamino)phenyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[4-(butanoylamino)phenyl]-2,6-dimethoxybenzamide (CID 954631) is N-[4-(butanoylamino)phenyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[4-(butanoylamino)phenyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[4-(butanoylamino)phenyl]-2,6-dimethoxybenzamide is CCCC(=O)Nc1ccc(NC(=O)c2c(OC)cccc2OC)cc1.
What is the InChIKey of N-[4-(butanoylamino)phenyl]-2,6-dimethoxybenzamide?
The InChIKey is AAHAVLUNCMWXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-4-6-17(22)20-13-9-11-14(12-10-13)21-19(23)18-15(24-2)7-5-8-16(18)25-3/h5,7-12H,4,6H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-[4-(butanoylamino)phenyl]-2,6-dimethoxybenzamide?
N-[4-(butanoylamino)phenyl]-2,6-dimethoxybenzamide has a molecular weight of 342.40 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butanoylamino)phenyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 954631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).