3,4,5-triethoxy-N-(2-propoxyphenyl)benzamide

C22H29NO5 — CID 7941942

IUPAC3,4,5-triethoxy-N-(2-propoxyphenyl)benzamide
SMILESCCCOc1ccccc1NC(=O)c1cc(OCC)c(OCC)c(OCC)c1
InChIInChI=1S/C22H29NO5/c1-5-13-28-18-12-10-9-11-17(18)23-22(24)16-14-19(25-6-2)21(27-8-4)20(15-16)26-7-3/h9-12,14-15H,5-8,13H2,1-4H3,(H,23,24)
InChIKeyGGCRGDSBUNPJQT-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.92
Rot. Bonds11

About 3,4,5-triethoxy-N-(2-propoxyphenyl)benzamide

3,4,5-triethoxy-N-(2-propoxyphenyl)benzamide (PubChem CID 7941942) has the molecular formula C22H29NO5 and a molecular weight of 387.48 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-(2-propoxyphenyl)benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-(2-propoxyphenyl)benzamide
PubChem CID7941942
Molecular FormulaC22H29NO5
Molecular Weight387.48 g/mol
Exact Mass387.20
IUPAC Name3,4,5-triethoxy-N-(2-propoxyphenyl)benzamide
SMILESCCCOc1ccccc1NC(=O)c1cc(OCC)c(OCC)c(OCC)c1
InChIInChI=1S/C22H29NO5/c1-5-13-28-18-12-10-9-11-17(18)23-22(24)16-14-19(25-6-2)21(27-8-4)20(15-16)26-7-3/h9-12,14-15H,5-8,13H2,1-4H3,(H,23,24)
InChIKeyGGCRGDSBUNPJQT-UHFFFAOYSA-N
XLogP4.92
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide
CID 17087319
3,4,5-triethoxy-N-(2-propan-2-ylphenyl)benzamide
CID 1350696
3,5-dichloro-N-(2-ethoxyphenyl)benzamide
CID 2442507
3,5-dichloro-N-(2-ethoxyphenyl)-4-pentoxybenzamide
CID 18848414
N-(2-cyanophenyl)-3,4,5-triethoxybenzamide
CID 3256014
4-(bromomethyl)-N-(2-propoxyphenyl)benzamide
CID 102851101
4-N-(2-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 30843274
3-amino-4-propoxy-N-(2-propoxyphenyl)benzamide
CID 110499861
N-(2,3-dimethylphenyl)-3,4,5-triethoxybenzamide
CID 1219709
3-bromo-N-(2-chlorophenyl)-5-ethoxy-4-propoxybenzamide
CID 5034614
N-(2-ethoxyphenyl)-4-heptoxybenzamide
CID 4950665
N-[2-(butylcarbamoyl)phenyl]-3,4,5-triethoxybenzamide
CID 17256689

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-(2-propoxyphenyl)benzamide?
The IUPAC name of 3,4,5-triethoxy-N-(2-propoxyphenyl)benzamide (CID 7941942) is 3,4,5-triethoxy-N-(2-propoxyphenyl)benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-(2-propoxyphenyl)benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-(2-propoxyphenyl)benzamide is CCCOc1ccccc1NC(=O)c1cc(OCC)c(OCC)c(OCC)c1.
What is the InChIKey of 3,4,5-triethoxy-N-(2-propoxyphenyl)benzamide?
The InChIKey is GGCRGDSBUNPJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO5/c1-5-13-28-18-12-10-9-11-17(18)23-22(24)16-14-19(25-6-2)21(27-8-4)20(15-16)26-7-3/h9-12,14-15H,5-8,13H2,1-4H3,(H,23,24).
What are the key properties of 3,4,5-triethoxy-N-(2-propoxyphenyl)benzamide?
3,4,5-triethoxy-N-(2-propoxyphenyl)benzamide has a molecular weight of 387.48 g/mol, XLogP of 4.92, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-(2-propoxyphenyl)benzamide is sourced from PubChem (CID 7941942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).