N-[2-(butanoylamino)phenyl]-3,4,5-trimethoxybenzamide

C20H24N2O5 — CID 1301613

IUPACN-[2-(butanoylamino)phenyl]-3,4,5-trimethoxybenzamide
SMILESCCCC(=O)Nc1ccccc1NC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H24N2O5/c1-5-8-18(23)21-14-9-6-7-10-15(14)22-20(24)13-11-16(25-2)19(27-4)17(12-13)26-3/h6-7,9-12H,5,8H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyKZYBQMGHZVSURY-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.70
Rot. Bonds8

About N-[2-(butanoylamino)phenyl]-3,4,5-trimethoxybenzamide

N-[2-(butanoylamino)phenyl]-3,4,5-trimethoxybenzamide (PubChem CID 1301613) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-[2-(butanoylamino)phenyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(butanoylamino)phenyl]-3,4,5-trimethoxybenzamide
PubChem CID1301613
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC NameN-[2-(butanoylamino)phenyl]-3,4,5-trimethoxybenzamide
SMILESCCCC(=O)Nc1ccccc1NC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H24N2O5/c1-5-8-18(23)21-14-9-6-7-10-15(14)22-20(24)13-11-16(25-2)19(27-4)17(12-13)26-3/h6-7,9-12H,5,8H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyKZYBQMGHZVSURY-UHFFFAOYSA-N
XLogP3.70
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(butanoylamino)phenyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-(butanoylamino)phenyl]-3,4,5-trimethoxybenzamide (CID 1301613) is N-[2-(butanoylamino)phenyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-(butanoylamino)phenyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-(butanoylamino)phenyl]-3,4,5-trimethoxybenzamide is CCCC(=O)Nc1ccccc1NC(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-[2-(butanoylamino)phenyl]-3,4,5-trimethoxybenzamide?
The InChIKey is KZYBQMGHZVSURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-5-8-18(23)21-14-9-6-7-10-15(14)22-20(24)13-11-16(25-2)19(27-4)17(12-13)26-3/h6-7,9-12H,5,8H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-(butanoylamino)phenyl]-3,4,5-trimethoxybenzamide?
N-[2-(butanoylamino)phenyl]-3,4,5-trimethoxybenzamide has a molecular weight of 372.42 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butanoylamino)phenyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 1301613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).