N-(1H-indazol-5-yl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide

C20H22N4O4 — CID 55774547

IUPACN-(1H-indazol-5-yl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
SMILESCOc1cc(C(=O)Nc2ccc3[nH]ncc3c2)ccc1OCC(=O)NC(C)C
InChIInChI=1S/C20H22N4O4/c1-12(2)22-19(25)11-28-17-7-4-13(9-18(17)27-3)20(26)23-15-5-6-16-14(8-15)10-21-24-16/h4-10,12H,11H2,1-3H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyJPFAIXZHKUIHIW-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.73
Rot. Bonds7

About N-(1H-indazol-5-yl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide

N-(1H-indazol-5-yl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide (PubChem CID 55774547) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
PubChem CID55774547
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC NameN-(1H-indazol-5-yl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
SMILESCOc1cc(C(=O)Nc2ccc3[nH]ncc3c2)ccc1OCC(=O)NC(C)C
InChIInChI=1S/C20H22N4O4/c1-12(2)22-19(25)11-28-17-7-4-13(9-18(17)27-3)20(26)23-15-5-6-16-14(8-15)10-21-24-16/h4-10,12H,11H2,1-3H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyJPFAIXZHKUIHIW-UHFFFAOYSA-N
XLogP2.73
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(1H-indazol-5-yl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide with MolForge

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Related Compounds

2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 139365719
N-(4-bromophenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 46486629
2-[4-(hydrazinecarbonyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 167446840
N-(1H-indazol-5-yl)-2,4,5-trimethoxybenzamide
CID 6468296
2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-3-methoxyphenoxy]-N-propan-2-ylacetamide
CID 139365624
ethene;3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 167446651
N-(1H-indazol-5-yl)-2H-benzotriazole-5-carboxamide
CID 110468858
N-(1H-indazol-5-yl)-4-methylbenzamide
CID 17163732
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 120507137
3-fluoro-N-(1H-indazol-6-yl)-4-methoxybenzamide
CID 36561598
3-chloro-N-(1H-indazol-5-yl)-4-(3-methoxy-2-pyridinyl)benzamide
CID 59673395
N-(4-bromo-2-methylphenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55770873

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide?
The IUPAC name of N-(1H-indazol-5-yl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide (CID 55774547) is N-(1H-indazol-5-yl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide.
What is the SMILES notation for N-(1H-indazol-5-yl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide?
The canonical SMILES for N-(1H-indazol-5-yl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide is COc1cc(C(=O)Nc2ccc3[nH]ncc3c2)ccc1OCC(=O)NC(C)C.
What is the InChIKey of N-(1H-indazol-5-yl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide?
The InChIKey is JPFAIXZHKUIHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-12(2)22-19(25)11-28-17-7-4-13(9-18(17)27-3)20(26)23-15-5-6-16-14(8-15)10-21-24-16/h4-10,12H,11H2,1-3H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of N-(1H-indazol-5-yl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide?
N-(1H-indazol-5-yl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide has a molecular weight of 382.42 g/mol, XLogP of 2.73, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide is sourced from PubChem (CID 55774547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).