3,4,5-triethoxy-N-(2-propan-2-ylphenyl)benzamide

C22H29NO4 — CID 1350696

IUPAC3,4,5-triethoxy-N-(2-propan-2-ylphenyl)benzamide
SMILESCCOc1cc(C(=O)Nc2ccccc2C(C)C)cc(OCC)c1OCC
InChIInChI=1S/C22H29NO4/c1-6-25-19-13-16(14-20(26-7-2)21(19)27-8-3)22(24)23-18-12-10-9-11-17(18)15(4)5/h9-15H,6-8H2,1-5H3,(H,23,24)
InChIKeyZJJXNSRFNYVVRB-UHFFFAOYSA-N
MW371.48 g/mol
LogP5.26
Rot. Bonds9

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

3,4,5-triethoxy-N-(2-propan-2-ylphenyl)benzamide (PubChem CID 1350696) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-(2-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-(2-propan-2-ylphenyl)benzamide
PubChem CID1350696
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC Name3,4,5-triethoxy-N-(2-propan-2-ylphenyl)benzamide
SMILESCCOc1cc(C(=O)Nc2ccccc2C(C)C)cc(OCC)c1OCC
InChIInChI=1S/C22H29NO4/c1-6-25-19-13-16(14-20(26-7-2)21(19)27-8-3)22(24)23-18-12-10-9-11-17(18)15(4)5/h9-15H,6-8H2,1-5H3,(H,23,24)
InChIKeyZJJXNSRFNYVVRB-UHFFFAOYSA-N
XLogP5.26
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,4,5-triethoxy-N-(2-propan-2-ylphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyanophenyl)-3,4,5-triethoxybenzamide
CID 3256014
3-ethoxy-N-(2-propan-2-ylphenyl)benzamide
CID 799138
3,4,5-triethoxy-N-(2-propoxyphenyl)benzamide
CID 7941942
N-(2-propan-2-ylphenyl)benzamide
CID 723391
3,5-diamino-N-(2-propan-2-ylphenyl)benzamide
CID 61092144
N-(2,3-dimethylphenyl)-3,4,5-triethoxybenzamide
CID 1219709
2-ethoxy-N-(2-propan-2-ylphenyl)naphthalene-1-carboxamide
CID 9497351
N-(2-propan-2-ylphenyl)-4-propoxybenzamide
CID 6463952
4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109043167
N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-3,4,5-triethoxybenzamide
CID 95733607
3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide
CID 5007008
3-chloro-4,5-diethoxy-N-(2-ethylphenyl)benzamide
CID 5217703

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-(2-propan-2-ylphenyl)benzamide?
The IUPAC name of 3,4,5-triethoxy-N-(2-propan-2-ylphenyl)benzamide (CID 1350696) is 3,4,5-triethoxy-N-(2-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-(2-propan-2-ylphenyl)benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-(2-propan-2-ylphenyl)benzamide is CCOc1cc(C(=O)Nc2ccccc2C(C)C)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-(2-propan-2-ylphenyl)benzamide?
The InChIKey is ZJJXNSRFNYVVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO4/c1-6-25-19-13-16(14-20(26-7-2)21(19)27-8-3)22(24)23-18-12-10-9-11-17(18)15(4)5/h9-15H,6-8H2,1-5H3,(H,23,24).
What are the key properties of 3,4,5-triethoxy-N-(2-propan-2-ylphenyl)benzamide?
3,4,5-triethoxy-N-(2-propan-2-ylphenyl)benzamide has a molecular weight of 371.48 g/mol, XLogP of 5.26, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-(2-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 1350696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).