2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide

C24H38N4O4 — CID 134809972

IUPAC2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
SMILESCOCc1ccc2c(c1)c(OC(C)(C)C(=O)NCCN1CCOCC1)nn2CCC(C)C
InChIInChI=1S/C24H38N4O4/c1-18(2)8-10-28-21-7-6-19(17-30-5)16-20(21)22(26-28)32-24(3,4)23(29)25-9-11-27-12-14-31-15-13-27/h6-7,16,18H,8-15,17H2,1-5H3,(H,25,29)
InChIKeyYYSWUNCHXVUTCF-UHFFFAOYSA-N
MW446.59 g/mol
LogP2.83
Rot. Bonds11

About 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide

2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 134809972) has the molecular formula C24H38N4O4 and a molecular weight of 446.59 g/mol. Its IUPAC name is 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID134809972
Molecular FormulaC24H38N4O4
Molecular Weight446.59 g/mol
Exact Mass446.29
IUPAC Name2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
SMILESCOCc1ccc2c(c1)c(OC(C)(C)C(=O)NCCN1CCOCC1)nn2CCC(C)C
InChIInChI=1S/C24H38N4O4/c1-18(2)8-10-28-21-7-6-19(17-30-5)16-20(21)22(26-28)32-24(3,4)23(29)25-9-11-27-12-14-31-15-13-27/h6-7,16,18H,8-15,17H2,1-5H3,(H,25,29)
InChIKeyYYSWUNCHXVUTCF-UHFFFAOYSA-N
XLogP2.83
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.59
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-(2-phenoxyethyl)propanamide
CID 134806429
3-(methoxymethyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 51218992
1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-morpholin-4-ylethyl)urea
CID 95178028
1-[[4-(methoxymethyl)phenyl]methyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine
CID 111053889
2-(benzotriazol-1-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
CID 10829295
3-[4-(3-methylbutyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 20881183
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-morpholin-4-ylethyl)propanamide
CID 121452302
2-(4-chlorophenoxy)-2-methyl-N-(3-morpholin-4-ylpropyl)propanamide
CID 3973227
2-(3-tert-butyl-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 110767323
6-(3-methylbutylamino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
CID 109115691
2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 110773313
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)acetamide
CID 110766797

Frequently Asked Questions

What is the IUPAC name of 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide (CID 134809972) is 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide is COCc1ccc2c(c1)c(OC(C)(C)C(=O)NCCN1CCOCC1)nn2CCC(C)C.
What is the InChIKey of 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is YYSWUNCHXVUTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O4/c1-18(2)8-10-28-21-7-6-19(17-30-5)16-20(21)22(26-28)32-24(3,4)23(29)25-9-11-27-12-14-31-15-13-27/h6-7,16,18H,8-15,17H2,1-5H3,(H,25,29).
What are the key properties of 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide?
2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 446.59 g/mol, XLogP of 2.83, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 134809972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).