4-(3-aminophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide

C24H24N4O2 — CID 177377823

IUPAC4-(3-aminophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
SMILESCCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1cccc(N)c1
InChIInChI=1S/C24H24N4O2/c1-3-30-22-13-17(10-11-21(22)16-6-5-9-20(25)12-16)24(29)28(2)15-19-8-4-7-18-14-26-27-23(18)19/h4-14H,3,15,25H2,1-2H3,(H,26,27)
InChIKeyYOYBWHSRINFPLA-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.48
Rot. Bonds6

About 4-(3-aminophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide

4-(3-aminophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide (PubChem CID 177377823) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 4-(3-aminophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-(3-aminophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
PubChem CID177377823
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name4-(3-aminophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
SMILESCCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1cccc(N)c1
InChIInChI=1S/C24H24N4O2/c1-3-30-22-13-17(10-11-21(22)16-6-5-9-20(25)12-16)24(29)28(2)15-19-8-4-7-18-14-26-27-23(18)19/h4-14H,3,15,25H2,1-2H3,(H,26,27)
InChIKeyYOYBWHSRINFPLA-UHFFFAOYSA-N
XLogP4.48
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide?
The IUPAC name of 4-(3-aminophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide (CID 177377823) is 4-(3-aminophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide.
What is the SMILES notation for 4-(3-aminophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide?
The canonical SMILES for 4-(3-aminophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide is CCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1cccc(N)c1.
What is the InChIKey of 4-(3-aminophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide?
The InChIKey is YOYBWHSRINFPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-3-30-22-13-17(10-11-21(22)16-6-5-9-20(25)12-16)24(29)28(2)15-19-8-4-7-18-14-26-27-23(18)19/h4-14H,3,15,25H2,1-2H3,(H,26,27).
What are the key properties of 4-(3-aminophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide?
4-(3-aminophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide has a molecular weight of 400.48 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide is sourced from PubChem (CID 177377823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).