N-(2-tert-butylphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide

C28H32N2O4 — CID 58262613

IUPACN-(2-tert-butylphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
SMILESCC(C)(C)c1ccccc1NC(=O)C(=O)c1ccc(OCCN2CCOCC2)c2ccccc12
InChIInChI=1S/C28H32N2O4/c1-28(2,3)23-10-6-7-11-24(23)29-27(32)26(31)22-12-13-25(21-9-5-4-8-20(21)22)34-19-16-30-14-17-33-18-15-30/h4-13H,14-19H2,1-3H3,(H,29,32)
InChIKeyDVDOKSZJWKLBAF-UHFFFAOYSA-N
MW460.57 g/mol
LogP4.67
Rot. Bonds7

About N-(2-tert-butylphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide

N-(2-tert-butylphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide (PubChem CID 58262613) has the molecular formula C28H32N2O4 and a molecular weight of 460.57 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
PubChem CID58262613
Molecular FormulaC28H32N2O4
Molecular Weight460.57 g/mol
Exact Mass460.24
IUPAC NameN-(2-tert-butylphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
SMILESCC(C)(C)c1ccccc1NC(=O)C(=O)c1ccc(OCCN2CCOCC2)c2ccccc12
InChIInChI=1S/C28H32N2O4/c1-28(2,3)23-10-6-7-11-24(23)29-27(32)26(31)22-12-13-25(21-9-5-4-8-20(21)22)34-19-16-30-14-17-33-18-15-30/h4-13H,14-19H2,1-3H3,(H,29,32)
InChIKeyDVDOKSZJWKLBAF-UHFFFAOYSA-N
XLogP4.67
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.57
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]propane-1,2-dione
CID 58262575
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
5-tert-butyl-2-methoxy-3-[[2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetyl]amino]-N-pyridin-2-ylbenzamide
CID 52934942
N-(1H-indazol-3-yl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 58262604
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
N-[5-tert-butyl-3-(imidazole-1-carbonyl)-2-methoxyphenyl]-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 67091315
N-[5-tert-butyl-2-methoxy-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 24965755
N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 67091271
N-[3-(4-aza-1-azoniabicyclo[2.2.2]octan-1-ylmethylsulfonylamino)-5-tert-butyl-2-methoxyphenyl]-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide chloride
CID 127034025
2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 44588777
2-(5-tert-butyl-2-methoxy-3-nitrophenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 57418855

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide?
The IUPAC name of N-(2-tert-butylphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide (CID 58262613) is N-(2-tert-butylphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(2-tert-butylphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide is CC(C)(C)c1ccccc1NC(=O)C(=O)c1ccc(OCCN2CCOCC2)c2ccccc12.
What is the InChIKey of N-(2-tert-butylphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide?
The InChIKey is DVDOKSZJWKLBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O4/c1-28(2,3)23-10-6-7-11-24(23)29-27(32)26(31)22-12-13-25(21-9-5-4-8-20(21)22)34-19-16-30-14-17-33-18-15-30/h4-13H,14-19H2,1-3H3,(H,29,32).
What are the key properties of N-(2-tert-butylphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide?
N-(2-tert-butylphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide has a molecular weight of 460.57 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide is sourced from PubChem (CID 58262613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).