2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methyl-N-propan-2-ylpropanamide

C24H31N3O4 — CID 134809445

IUPAC2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methyl-N-propan-2-ylpropanamide
SMILESCOCc1ccc2c(c1)c(OC(C)(C)C(=O)NC(C)C)nn2Cc1cccc(OC)c1
InChIInChI=1S/C24H31N3O4/c1-16(2)25-23(28)24(3,4)31-22-20-13-18(15-29-5)10-11-21(20)27(26-22)14-17-8-7-9-19(12-17)30-6/h7-13,16H,14-15H2,1-6H3,(H,25,28)
InChIKeyZNCIBDCITOQQMG-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.92
Rot. Bonds9

About 2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methyl-N-propan-2-ylpropanamide

2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methyl-N-propan-2-ylpropanamide (PubChem CID 134809445) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is 2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methyl-N-propan-2-ylpropanamide
PubChem CID134809445
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methyl-N-propan-2-ylpropanamide
SMILESCOCc1ccc2c(c1)c(OC(C)(C)C(=O)NC(C)C)nn2Cc1cccc(OC)c1
InChIInChI=1S/C24H31N3O4/c1-16(2)25-23(28)24(3,4)31-22-20-13-18(15-29-5)10-11-21(20)27(26-22)14-17-8-7-9-19(12-17)30-6/h7-13,16H,14-15H2,1-6H3,(H,25,28)
InChIKeyZNCIBDCITOQQMG-UHFFFAOYSA-N
XLogP3.92
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methyl-N-propan-2-ylpropanamide?
The IUPAC name of 2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methyl-N-propan-2-ylpropanamide (CID 134809445) is 2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methyl-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methyl-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methyl-N-propan-2-ylpropanamide is COCc1ccc2c(c1)c(OC(C)(C)C(=O)NC(C)C)nn2Cc1cccc(OC)c1.
What is the InChIKey of 2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methyl-N-propan-2-ylpropanamide?
The InChIKey is ZNCIBDCITOQQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-16(2)25-23(28)24(3,4)31-22-20-13-18(15-29-5)10-11-21(20)27(26-22)14-17-8-7-9-19(12-17)30-6/h7-13,16H,14-15H2,1-6H3,(H,25,28).
What are the key properties of 2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methyl-N-propan-2-ylpropanamide?
2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methyl-N-propan-2-ylpropanamide has a molecular weight of 425.53 g/mol, XLogP of 3.92, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 134809445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).