N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-6-yl]-3-methylbutanamide;ethane

C24H30N4O4 — CID 177233360

IUPACN-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-6-yl]-3-methylbutanamide;ethane
SMILESCC.CC(C)CC(=O)Nc1ccc2c(NC(=O)Cc3ccc4c(c3)OCCO4)n[nH]c2c1
InChIInChI=1S/C22H24N4O4.C2H6/c1-13(2)9-20(27)23-15-4-5-16-17(12-15)25-26-22(16)24-21(28)11-14-3-6-18-19(10-14)30-8-7-29-18;1-2/h3-6,10,12-13H,7-9,11H2,1-2H3,(H,23,27)(H2,24,25,26,28);1-2H3
InChIKeyXDOMNUAGKDJRDE-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.53
Rot. Bonds6

About N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-6-yl]-3-methylbutanamide;ethane

N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-6-yl]-3-methylbutanamide;ethane (PubChem CID 177233360) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-6-yl]-3-methylbutanamide;ethane.

Molecular Properties

Compound NameN-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-6-yl]-3-methylbutanamide;ethane
PubChem CID177233360
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC NameN-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-6-yl]-3-methylbutanamide;ethane
SMILESCC.CC(C)CC(=O)Nc1ccc2c(NC(=O)Cc3ccc4c(c3)OCCO4)n[nH]c2c1
InChIInChI=1S/C22H24N4O4.C2H6/c1-13(2)9-20(27)23-15-4-5-16-17(12-15)25-26-22(16)24-21(28)11-14-3-6-18-19(10-14)30-8-7-29-18;1-2/h3-6,10,12-13H,7-9,11H2,1-2H3,(H,23,27)(H2,24,25,26,28);1-2H3
InChIKeyXDOMNUAGKDJRDE-UHFFFAOYSA-N
XLogP4.53
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-6-yl]-3-methylbutanamide
CID 177233337
[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-5-yl]carbamic acid
CID 177233031
N-(6-cyclopropyl-1H-indazol-3-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 177233128
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-hydroxy-1H-pyrazolo[5,4-c]pyridin-6-ium-3-yl)acetamide
CID 177232998
benzyl N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-5-yl]carbamate
CID 177233354
N-(5-cyclopropyl-1H-indazol-3-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 177233134
N-(7-chloro-1H-indazol-3-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 177233484
N-(5-chloro-1H-indazol-3-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 177233091
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-[3-(dimethylamino)phenyl]-1H-indazol-3-yl]acetamide
CID 177233153
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[5-(2-phenylethyl)-1H-indazol-3-yl]acetamide
CID 177233021
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(1,3,5-triazin-2-yloxy)-1H-indazol-3-yl]acetamide
CID 177233030
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(oxolan-3-ylsulfonylamino)-1H-indazol-3-yl]acetamide
CID 177233438

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-6-yl]-3-methylbutanamide;ethane?
The IUPAC name of N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-6-yl]-3-methylbutanamide;ethane (CID 177233360) is N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-6-yl]-3-methylbutanamide;ethane.
What is the SMILES notation for N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-6-yl]-3-methylbutanamide;ethane?
The canonical SMILES for N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-6-yl]-3-methylbutanamide;ethane is CC.CC(C)CC(=O)Nc1ccc2c(NC(=O)Cc3ccc4c(c3)OCCO4)n[nH]c2c1.
What is the InChIKey of N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-6-yl]-3-methylbutanamide;ethane?
The InChIKey is XDOMNUAGKDJRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4.C2H6/c1-13(2)9-20(27)23-15-4-5-16-17(12-15)25-26-22(16)24-21(28)11-14-3-6-18-19(10-14)30-8-7-29-18;1-2/h3-6,10,12-13H,7-9,11H2,1-2H3,(H,23,27)(H2,24,25,26,28);1-2H3.
What are the key properties of N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-6-yl]-3-methylbutanamide;ethane?
N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-6-yl]-3-methylbutanamide;ethane has a molecular weight of 438.53 g/mol, XLogP of 4.53, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-6-yl]-3-methylbutanamide;ethane is sourced from PubChem (CID 177233360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).