N-(1H-indazol-3-yl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide

C25H24N4O4 — CID 58262604

IUPACN-(1H-indazol-3-yl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
SMILESO=C(Nc1n[nH]c2ccccc12)C(=O)c1ccc(OCCN2CCOCC2)c2ccccc12
InChIInChI=1S/C25H24N4O4/c30-23(25(31)26-24-20-7-3-4-8-21(20)27-28-24)19-9-10-22(18-6-2-1-5-17(18)19)33-16-13-29-11-14-32-15-12-29/h1-10H,11-16H2,(H2,26,27,28,31)
InChIKeyLOEYBBMLSGKPEJ-UHFFFAOYSA-N
MW444.49 g/mol
LogP3.25
Rot. Bonds7

About N-(1H-indazol-3-yl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide

N-(1H-indazol-3-yl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide (PubChem CID 58262604) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is N-(1H-indazol-3-yl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(1H-indazol-3-yl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
PubChem CID58262604
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC NameN-(1H-indazol-3-yl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
SMILESO=C(Nc1n[nH]c2ccccc12)C(=O)c1ccc(OCCN2CCOCC2)c2ccccc12
InChIInChI=1S/C25H24N4O4/c30-23(25(31)26-24-20-7-3-4-8-21(20)27-28-24)19-9-10-22(18-6-2-1-5-17(18)19)33-16-13-29-11-14-32-15-12-29/h1-10H,11-16H2,(H2,26,27,28,31)
InChIKeyLOEYBBMLSGKPEJ-UHFFFAOYSA-N
XLogP3.25
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-tert-butylphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 58262613
1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]propane-1,2-dione
CID 58262575
N-(3-fluoro-5-morpholin-4-ylphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 24965753
N-[5-tert-butyl-2-methoxy-3-(2H-tetrazol-5-yl)phenyl]-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 24966817
5-tert-butyl-2-methoxy-3-[[2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetyl]amino]-N-pyridin-2-ylbenzamide
CID 52934942
[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 18628987
N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 67091271
N-[5-tert-butyl-3-(imidazole-1-carbonyl)-2-methoxyphenyl]-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 67091315
2-[[5-tert-butyl-2-methoxy-3-[[2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetyl]amino]phenyl]sulfamoyl]acetic acid
CID 127033751
N-[5-tert-butyl-2-methoxy-3-(propylsulfonylamino)phenyl]-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 67091351
N-(1-benzylsulfonyl-3-tert-butylpyrazol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 67609567
methyl 2-chloro-2-oxoacetate;methyl 2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetate;4-(2-naphthalen-1-yloxyethyl)morpholine
CID 159215074

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-3-yl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide?
The IUPAC name of N-(1H-indazol-3-yl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide (CID 58262604) is N-(1H-indazol-3-yl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(1H-indazol-3-yl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(1H-indazol-3-yl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide is O=C(Nc1n[nH]c2ccccc12)C(=O)c1ccc(OCCN2CCOCC2)c2ccccc12.
What is the InChIKey of N-(1H-indazol-3-yl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide?
The InChIKey is LOEYBBMLSGKPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c30-23(25(31)26-24-20-7-3-4-8-21(20)27-28-24)19-9-10-22(18-6-2-1-5-17(18)19)33-16-13-29-11-14-32-15-12-29/h1-10H,11-16H2,(H2,26,27,28,31).
What are the key properties of N-(1H-indazol-3-yl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide?
N-(1H-indazol-3-yl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide has a molecular weight of 444.49 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-3-yl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide is sourced from PubChem (CID 58262604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).