N-[4-[2-(2-hydroxyethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-methoxybenzamide

C22H26N4O4 — CID 24889531

IUPACN-[4-[2-(2-hydroxyethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(OCCNCCO)c(-c3ccnn3C)c2)c1
InChIInChI=1S/C22H26N4O4/c1-26-20(8-9-24-26)19-15-17(6-7-21(19)30-13-11-23-10-12-27)25-22(28)16-4-3-5-18(14-16)29-2/h3-9,14-15,23,27H,10-13H2,1-2H3,(H,25,28)
InChIKeyICQZUCHSSMHLJE-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.31
Rot. Bonds10

About N-[4-[2-(2-hydroxyethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-methoxybenzamide

N-[4-[2-(2-hydroxyethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-methoxybenzamide (PubChem CID 24889531) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[4-[2-(2-hydroxyethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[2-(2-hydroxyethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-methoxybenzamide
PubChem CID24889531
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC NameN-[4-[2-(2-hydroxyethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(OCCNCCO)c(-c3ccnn3C)c2)c1
InChIInChI=1S/C22H26N4O4/c1-26-20(8-9-24-26)19-15-17(6-7-21(19)30-13-11-23-10-12-27)25-22(28)16-4-3-5-18(14-16)29-2/h3-9,14-15,23,27H,10-13H2,1-2H3,(H,25,28)
InChIKeyICQZUCHSSMHLJE-UHFFFAOYSA-N
XLogP2.31
TPSA97.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-hydroxyethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-methoxybenzamide?
The IUPAC name of N-[4-[2-(2-hydroxyethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-methoxybenzamide (CID 24889531) is N-[4-[2-(2-hydroxyethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[4-[2-(2-hydroxyethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-methoxybenzamide?
The canonical SMILES for N-[4-[2-(2-hydroxyethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(OCCNCCO)c(-c3ccnn3C)c2)c1.
What is the InChIKey of N-[4-[2-(2-hydroxyethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-methoxybenzamide?
The InChIKey is ICQZUCHSSMHLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-26-20(8-9-24-26)19-15-17(6-7-21(19)30-13-11-23-10-12-27)25-22(28)16-4-3-5-18(14-16)29-2/h3-9,14-15,23,27H,10-13H2,1-2H3,(H,25,28).
What are the key properties of N-[4-[2-(2-hydroxyethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-methoxybenzamide?
N-[4-[2-(2-hydroxyethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-methoxybenzamide has a molecular weight of 410.47 g/mol, XLogP of 2.31, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-hydroxyethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-methoxybenzamide is sourced from PubChem (CID 24889531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).