2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide

C26H32N4O4 — CID 44588777

IUPAC2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
SMILESCn1nc(C(C)(C)C)cc1C(=O)C(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12
InChIInChI=1S/C26H32N4O4/c1-26(2,3)23-17-21(29(4)28-23)24(31)25(32)27-20-9-10-22(19-8-6-5-7-18(19)20)34-16-13-30-11-14-33-15-12-30/h5-10,17H,11-16H2,1-4H3,(H,27,32)
InChIKeyDBGFKAQCBIFIOK-UHFFFAOYSA-N
MW464.57 g/mol
LogP3.40
Rot. Bonds7

About 2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide

2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide (PubChem CID 44588777) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is 2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
PubChem CID44588777
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC Name2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
SMILESCn1nc(C(C)(C)C)cc1C(=O)C(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12
InChIInChI=1S/C26H32N4O4/c1-26(2,3)23-17-21(29(4)28-23)24(31)25(32)27-20-9-10-22(19-8-6-5-7-18(19)20)34-16-13-30-11-14-33-15-12-30/h5-10,17H,11-16H2,1-4H3,(H,27,32)
InChIKeyDBGFKAQCBIFIOK-UHFFFAOYSA-N
XLogP3.40
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide
CID 67091339
2-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-2-hydroxyimino-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide
CID 173045478
[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-[4-[3-tert-butyl-5-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]phenyl]acetamide
CID 11731461
N-(2-tert-butylphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 58262613
2-(5-tert-butyl-2-methoxy-3-nitrophenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 57418855
1-[3-tert-butyl-1-[3-(2-morpholin-4-ylethyl)phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 15908533
N-(1-benzylsulfonyl-3-tert-butylpyrazol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 67609567
5-tert-butyl-N-methyl-3-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]-1H-pyrrole-2-carboxamide
CID 18406650
methyl 5-tert-butyl-1-methyl-3-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrrole-2-carboxylate
CID 18406693
1-(2-ethoxy-5-trimethylsilylphenyl)-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 11409584

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide?
The IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide (CID 44588777) is 2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide.
What is the SMILES notation for 2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide?
The canonical SMILES for 2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide is Cn1nc(C(C)(C)C)cc1C(=O)C(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12.
What is the InChIKey of 2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide?
The InChIKey is DBGFKAQCBIFIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-26(2,3)23-17-21(29(4)28-23)24(31)25(32)27-20-9-10-22(19-8-6-5-7-18(19)20)34-16-13-30-11-14-33-15-12-30/h5-10,17H,11-16H2,1-4H3,(H,27,32).
What are the key properties of 2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide?
2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide has a molecular weight of 464.57 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide is sourced from PubChem (CID 44588777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).