3,5-diacetamido-N-(2,5-diethoxyphenyl)benzamide

C21H25N3O5 — CID 9490111

IUPAC3,5-diacetamido-N-(2,5-diethoxyphenyl)benzamide
SMILESCCOc1ccc(OCC)c(NC(=O)c2cc(NC(C)=O)cc(NC(C)=O)c2)c1
InChIInChI=1S/C21H25N3O5/c1-5-28-18-7-8-20(29-6-2)19(12-18)24-21(27)15-9-16(22-13(3)25)11-17(10-15)23-14(4)26/h7-12H,5-6H2,1-4H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyZAZBXCHWKMZFCB-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.65
Rot. Bonds8

About 3,5-diacetamido-N-(2,5-diethoxyphenyl)benzamide

3,5-diacetamido-N-(2,5-diethoxyphenyl)benzamide (PubChem CID 9490111) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is 3,5-diacetamido-N-(2,5-diethoxyphenyl)benzamide.

Molecular Properties

Compound Name3,5-diacetamido-N-(2,5-diethoxyphenyl)benzamide
PubChem CID9490111
Molecular FormulaC21H25N3O5
Molecular Weight399.45 g/mol
Exact Mass399.18
IUPAC Name3,5-diacetamido-N-(2,5-diethoxyphenyl)benzamide
SMILESCCOc1ccc(OCC)c(NC(=O)c2cc(NC(C)=O)cc(NC(C)=O)c2)c1
InChIInChI=1S/C21H25N3O5/c1-5-28-18-7-8-20(29-6-2)19(12-18)24-21(27)15-9-16(22-13(3)25)11-17(10-15)23-14(4)26/h7-12H,5-6H2,1-4H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyZAZBXCHWKMZFCB-UHFFFAOYSA-N
XLogP3.65
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-diethoxyphenyl)-2-ethoxybenzamide
CID 43000684
3-cyano-N-(2,5-diethoxyphenyl)benzamide
CID 29455083
N-(2,5-diethoxyphenyl)-2-methoxypropanamide
CID 47301395
2-acetamido-N-(2,5-diethoxyphenyl)propanamide
CID 78778179
N-(2,5-diethoxyphenyl)-2,5-dimethylthiophene-3-carboxamide
CID 36665080
N-(2,5-diethoxyphenyl)-2-methoxyacetamide
CID 34737899
N-(2,5-diethoxyphenyl)pyrazine-2-carboxamide
CID 862102
5-bromo-N-(2,5-diethoxyphenyl)furan-2-carboxamide
CID 26180023
N-(2,5-diethoxyphenyl)-3-methylsulfonyl-5-nitrobenzamide
CID 47847842
N-(2,5-diethoxyphenyl)-4-pyrazol-1-ylbenzamide
CID 26702605
4-(2,5-diethoxyanilino)-4-oxobutanoic acid
CID 1133656
N-(2,5-diethoxyphenyl)-2-methylsulfanylacetamide
CID 33312505

Frequently Asked Questions

What is the IUPAC name of 3,5-diacetamido-N-(2,5-diethoxyphenyl)benzamide?
The IUPAC name of 3,5-diacetamido-N-(2,5-diethoxyphenyl)benzamide (CID 9490111) is 3,5-diacetamido-N-(2,5-diethoxyphenyl)benzamide.
What is the SMILES notation for 3,5-diacetamido-N-(2,5-diethoxyphenyl)benzamide?
The canonical SMILES for 3,5-diacetamido-N-(2,5-diethoxyphenyl)benzamide is CCOc1ccc(OCC)c(NC(=O)c2cc(NC(C)=O)cc(NC(C)=O)c2)c1.
What is the InChIKey of 3,5-diacetamido-N-(2,5-diethoxyphenyl)benzamide?
The InChIKey is ZAZBXCHWKMZFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5/c1-5-28-18-7-8-20(29-6-2)19(12-18)24-21(27)15-9-16(22-13(3)25)11-17(10-15)23-14(4)26/h7-12H,5-6H2,1-4H3,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of 3,5-diacetamido-N-(2,5-diethoxyphenyl)benzamide?
3,5-diacetamido-N-(2,5-diethoxyphenyl)benzamide has a molecular weight of 399.45 g/mol, XLogP of 3.65, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diacetamido-N-(2,5-diethoxyphenyl)benzamide is sourced from PubChem (CID 9490111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).