2-methoxy-N-[2-[[(7S)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]-2-oxoethyl]benzamide

C20H26N4O4 — CID 164637051

IUPAC2-methoxy-N-[2-[[(7S)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]-2-oxoethyl]benzamide
SMILESCOCCn1cc2c(n1)[C@@H](NC(=O)CNC(=O)c1ccccc1OC)CCC2
InChIInChI=1S/C20H26N4O4/c1-27-11-10-24-13-14-6-5-8-16(19(14)23-24)22-18(25)12-21-20(26)15-7-3-4-9-17(15)28-2/h3-4,7,9,13,16H,5-6,8,10-12H2,1-2H3,(H,21,26)(H,22,25)/t16-/m0/s1
InChIKeyDFWTYIHPBADHKM-INIZCTEOSA-N
MW386.45 g/mol
LogP1.46
Rot. Bonds8

About 2-methoxy-N-[2-[[(7S)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]-2-oxoethyl]benzamide

2-methoxy-N-[2-[[(7S)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]-2-oxoethyl]benzamide (PubChem CID 164637051) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-methoxy-N-[2-[[(7S)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[[(7S)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]-2-oxoethyl]benzamide
PubChem CID164637051
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name2-methoxy-N-[2-[[(7S)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]-2-oxoethyl]benzamide
SMILESCOCCn1cc2c(n1)[C@@H](NC(=O)CNC(=O)c1ccccc1OC)CCC2
InChIInChI=1S/C20H26N4O4/c1-27-11-10-24-13-14-6-5-8-16(19(14)23-24)22-18(25)12-21-20(26)15-7-3-4-9-17(15)28-2/h3-4,7,9,13,16H,5-6,8,10-12H2,1-2H3,(H,21,26)(H,22,25)/t16-/m0/s1
InChIKeyDFWTYIHPBADHKM-INIZCTEOSA-N
XLogP1.46
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[[(7S)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 2-methoxy-N-[2-[[(7S)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]-2-oxoethyl]benzamide (CID 164637051) is 2-methoxy-N-[2-[[(7S)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-[[(7S)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-[[(7S)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]-2-oxoethyl]benzamide is COCCn1cc2c(n1)[C@@H](NC(=O)CNC(=O)c1ccccc1OC)CCC2.
What is the InChIKey of 2-methoxy-N-[2-[[(7S)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is DFWTYIHPBADHKM-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-27-11-10-24-13-14-6-5-8-16(19(14)23-24)22-18(25)12-21-20(26)15-7-3-4-9-17(15)28-2/h3-4,7,9,13,16H,5-6,8,10-12H2,1-2H3,(H,21,26)(H,22,25)/t16-/m0/s1.
What are the key properties of 2-methoxy-N-[2-[[(7S)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]-2-oxoethyl]benzamide?
2-methoxy-N-[2-[[(7S)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 386.45 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[[(7S)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 164637051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).