N-[4-[acetyl(methyl)amino]phenyl]-3,4,5-triethoxybenzamide

C22H28N2O5 — CID 1346461

IUPACN-[4-[acetyl(methyl)amino]phenyl]-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)Nc2ccc(N(C)C(C)=O)cc2)cc(OCC)c1OCC
InChIInChI=1S/C22H28N2O5/c1-6-27-19-13-16(14-20(28-7-2)21(19)29-8-3)22(26)23-17-9-11-18(12-10-17)24(5)15(4)25/h9-14H,6-8H2,1-5H3,(H,23,26)
InChIKeyJKFOUEGGPVTVLC-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.12
Rot. Bonds9

About N-[4-[acetyl(methyl)amino]phenyl]-3,4,5-triethoxybenzamide

N-[4-[acetyl(methyl)amino]phenyl]-3,4,5-triethoxybenzamide (PubChem CID 1346461) has the molecular formula C22H28N2O5 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[4-[acetyl(methyl)amino]phenyl]-3,4,5-triethoxybenzamide.

Molecular Properties

Compound NameN-[4-[acetyl(methyl)amino]phenyl]-3,4,5-triethoxybenzamide
PubChem CID1346461
Molecular FormulaC22H28N2O5
Molecular Weight400.48 g/mol
Exact Mass400.20
IUPAC NameN-[4-[acetyl(methyl)amino]phenyl]-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)Nc2ccc(N(C)C(C)=O)cc2)cc(OCC)c1OCC
InChIInChI=1S/C22H28N2O5/c1-6-27-19-13-16(14-20(28-7-2)21(19)29-8-3)22(26)23-17-9-11-18(12-10-17)24(5)15(4)25/h9-14H,6-8H2,1-5H3,(H,23,26)
InChIKeyJKFOUEGGPVTVLC-UHFFFAOYSA-N
XLogP4.12
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(dimethylcarbamoyl)phenyl]-3,4,5-triethoxybenzamide
CID 7944350
N-[4-(dimethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide
CID 2520365
N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]acetamide
CID 26798129
3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide
CID 5007008
N-(4-cyanophenyl)-3,4,5-triethoxybenzamide
CID 1129663
N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 24658864
N-[4-(diethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide
CID 3586249
3,4,5-triethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219654
N-[4-[acetyl(methyl)amino]phenyl]-4-methoxybenzamide
CID 730548
3,4,5-triethoxy-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzamide
CID 7375733
N-[[4-(diethylamino)phenyl]carbamothioyl]-3,4,5-triethoxybenzamide
CID 3486164
N-[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 1112721

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-3,4,5-triethoxybenzamide?
The IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-3,4,5-triethoxybenzamide (CID 1346461) is N-[4-[acetyl(methyl)amino]phenyl]-3,4,5-triethoxybenzamide.
What is the SMILES notation for N-[4-[acetyl(methyl)amino]phenyl]-3,4,5-triethoxybenzamide?
The canonical SMILES for N-[4-[acetyl(methyl)amino]phenyl]-3,4,5-triethoxybenzamide is CCOc1cc(C(=O)Nc2ccc(N(C)C(C)=O)cc2)cc(OCC)c1OCC.
What is the InChIKey of N-[4-[acetyl(methyl)amino]phenyl]-3,4,5-triethoxybenzamide?
The InChIKey is JKFOUEGGPVTVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5/c1-6-27-19-13-16(14-20(28-7-2)21(19)29-8-3)22(26)23-17-9-11-18(12-10-17)24(5)15(4)25/h9-14H,6-8H2,1-5H3,(H,23,26).
What are the key properties of N-[4-[acetyl(methyl)amino]phenyl]-3,4,5-triethoxybenzamide?
N-[4-[acetyl(methyl)amino]phenyl]-3,4,5-triethoxybenzamide has a molecular weight of 400.48 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(methyl)amino]phenyl]-3,4,5-triethoxybenzamide is sourced from PubChem (CID 1346461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).