2,4,5-trimethoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide

C20H24N2O5 — CID 131950606

IUPAC2,4,5-trimethoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
SMILESCOc1cc(OC)c(C(=O)Nc2ccc(C(=O)NC(C)C)cc2)cc1OC
InChIInChI=1S/C20H24N2O5/c1-12(2)21-19(23)13-6-8-14(9-7-13)22-20(24)15-10-17(26-4)18(27-5)11-16(15)25-3/h6-12H,1-5H3,(H,21,23)(H,22,24)
InChIKeyNDKSMUSQIHMPES-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.10
Rot. Bonds7

About 2,4,5-trimethoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide

2,4,5-trimethoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide (PubChem CID 131950606) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2,4,5-trimethoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2,4,5-trimethoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
PubChem CID131950606
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name2,4,5-trimethoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
SMILESCOc1cc(OC)c(C(=O)Nc2ccc(C(=O)NC(C)C)cc2)cc1OC
InChIInChI=1S/C20H24N2O5/c1-12(2)21-19(23)13-6-8-14(9-7-13)22-20(24)15-10-17(26-4)18(27-5)11-16(15)25-3/h6-12H,1-5H3,(H,21,23)(H,22,24)
InChIKeyNDKSMUSQIHMPES-UHFFFAOYSA-N
XLogP3.10
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4,5-trimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 4793592
N-[4-(1-aminoethyl)phenyl]-2,4,5-trimethoxybenzamide
CID 119625597
3-N-(4-chlorophenyl)-4-methoxy-1-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 59265083
2-bromo-5-methoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 55865424
N-(4-ethoxyphenyl)-2,4,5-trimethoxybenzamide
CID 912703
N-(3-benzamidophenyl)-2,4,5-trimethoxybenzamide
CID 55797225
N-(3,5-dimethoxyphenyl)-2,4,5-trimethoxybenzamide
CID 2200296
N-(4-butylphenyl)-2,4,5-trimethoxybenzamide
CID 9442098
5-bromo-2-(2-methylpropoxy)-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 26157667
1-N,3-N-bis(4-tert-butylphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 71761515
N-(4-ethoxy-3-methoxyphenyl)-2,4,5-trimethoxybenzamide
CID 9103295
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 71608233

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2,4,5-trimethoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide (CID 131950606) is 2,4,5-trimethoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2,4,5-trimethoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2,4,5-trimethoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide is COc1cc(OC)c(C(=O)Nc2ccc(C(=O)NC(C)C)cc2)cc1OC.
What is the InChIKey of 2,4,5-trimethoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide?
The InChIKey is NDKSMUSQIHMPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-12(2)21-19(23)13-6-8-14(9-7-13)22-20(24)15-10-17(26-4)18(27-5)11-16(15)25-3/h6-12H,1-5H3,(H,21,23)(H,22,24).
What are the key properties of 2,4,5-trimethoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide?
2,4,5-trimethoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide has a molecular weight of 372.42 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 131950606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).