2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-(2-phenoxyethyl)propanamide

C27H36N4O4 — CID 134806429

IUPAC2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-(2-phenoxyethyl)propanamide
SMILESCC(C)n1nc(OC(C)(C)C(=O)NCCOc2ccccc2)c2cc(CN3CCOCC3)ccc21
InChIInChI=1S/C27H36N4O4/c1-20(2)31-24-11-10-21(19-30-13-16-33-17-14-30)18-23(24)25(29-31)35-27(3,4)26(32)28-12-15-34-22-8-6-5-7-9-22/h5-11,18,20H,12-17,19H2,1-4H3,(H,28,32)
InChIKeyCJSFCMOVAPUHOI-UHFFFAOYSA-N
MW480.61 g/mol
LogP3.80
Rot. Bonds10

About 2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-(2-phenoxyethyl)propanamide

2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-(2-phenoxyethyl)propanamide (PubChem CID 134806429) has the molecular formula C27H36N4O4 and a molecular weight of 480.61 g/mol. Its IUPAC name is 2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-(2-phenoxyethyl)propanamide.

Molecular Properties

Compound Name2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-(2-phenoxyethyl)propanamide
PubChem CID134806429
Molecular FormulaC27H36N4O4
Molecular Weight480.61 g/mol
Exact Mass480.27
IUPAC Name2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-(2-phenoxyethyl)propanamide
SMILESCC(C)n1nc(OC(C)(C)C(=O)NCCOc2ccccc2)c2cc(CN3CCOCC3)ccc21
InChIInChI=1S/C27H36N4O4/c1-20(2)31-24-11-10-21(19-30-13-16-33-17-14-30)18-23(24)25(29-31)35-27(3,4)26(32)28-12-15-34-22-8-6-5-7-9-22/h5-11,18,20H,12-17,19H2,1-4H3,(H,28,32)
InChIKeyCJSFCMOVAPUHOI-UHFFFAOYSA-N
XLogP3.80
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 53.80
H-Bond Donors ≤ 51
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 2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-(2-phenoxyethyl)propanamide?
The IUPAC name of 2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-(2-phenoxyethyl)propanamide (CID 134806429) is 2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-(2-phenoxyethyl)propanamide.
What is the SMILES notation for 2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-(2-phenoxyethyl)propanamide?
The canonical SMILES for 2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-(2-phenoxyethyl)propanamide is CC(C)n1nc(OC(C)(C)C(=O)NCCOc2ccccc2)c2cc(CN3CCOCC3)ccc21.
What is the InChIKey of 2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-(2-phenoxyethyl)propanamide?
The InChIKey is CJSFCMOVAPUHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O4/c1-20(2)31-24-11-10-21(19-30-13-16-33-17-14-30)18-23(24)25(29-31)35-27(3,4)26(32)28-12-15-34-22-8-6-5-7-9-22/h5-11,18,20H,12-17,19H2,1-4H3,(H,28,32).
What are the key properties of 2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-(2-phenoxyethyl)propanamide?
2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-(2-phenoxyethyl)propanamide has a molecular weight of 480.61 g/mol, XLogP of 3.80, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-(2-phenoxyethyl)propanamide is sourced from PubChem (CID 134806429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).