3-tert-butyl-5-[[2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetyl]amino]-N-piperidin-3-ylbenzamide

C34H42N4O5 — CID 69252746

IUPAC3-tert-butyl-5-[[2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetyl]amino]-N-piperidin-3-ylbenzamide
SMILESCC(C)(C)c1cc(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c3ccccc23)cc(C(=O)NC2CCCNC2)c1
InChIInChI=1S/C34H42N4O5/c1-34(2,3)24-19-23(32(40)36-25-7-6-12-35-22-25)20-26(21-24)37-33(41)31(39)29-10-11-30(28-9-5-4-8-27(28)29)43-18-15-38-13-16-42-17-14-38/h4-5,8-11,19-21,25,35H,6-7,12-18,22H2,1-3H3,(H,36,40)(H,37,41)
InChIKeySNKUXOOSUGSAOV-UHFFFAOYSA-N
MW586.73 g/mol
LogP4.15
Rot. Bonds9

About 3-tert-butyl-5-[[2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetyl]amino]-N-piperidin-3-ylbenzamide

3-tert-butyl-5-[[2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetyl]amino]-N-piperidin-3-ylbenzamide (PubChem CID 69252746) has the molecular formula C34H42N4O5 and a molecular weight of 586.73 g/mol. Its IUPAC name is 3-tert-butyl-5-[[2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetyl]amino]-N-piperidin-3-ylbenzamide.

Molecular Properties

Compound Name3-tert-butyl-5-[[2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetyl]amino]-N-piperidin-3-ylbenzamide
PubChem CID69252746
Molecular FormulaC34H42N4O5
Molecular Weight586.73 g/mol
Exact Mass586.32
IUPAC Name3-tert-butyl-5-[[2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetyl]amino]-N-piperidin-3-ylbenzamide
SMILESCC(C)(C)c1cc(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c3ccccc23)cc(C(=O)NC2CCCNC2)c1
InChIInChI=1S/C34H42N4O5/c1-34(2,3)24-19-23(32(40)36-25-7-6-12-35-22-25)20-26(21-24)37-33(41)31(39)29-10-11-30(28-9-5-4-8-27(28)29)43-18-15-38-13-16-42-17-14-38/h4-5,8-11,19-21,25,35H,6-7,12-18,22H2,1-3H3,(H,36,40)(H,37,41)
InChIKeySNKUXOOSUGSAOV-UHFFFAOYSA-N
XLogP4.15
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.73
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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
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-(propylsulfonylamino)phenyl]-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 67091351
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
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
1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]propane-1,2-dione
CID 58262575
N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 67091271
N-(1H-indazol-3-yl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 58262604
2-(5-tert-butyl-2-methoxy-3-nitrophenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 57418855
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

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-[[2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetyl]amino]-N-piperidin-3-ylbenzamide?
The IUPAC name of 3-tert-butyl-5-[[2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetyl]amino]-N-piperidin-3-ylbenzamide (CID 69252746) is 3-tert-butyl-5-[[2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetyl]amino]-N-piperidin-3-ylbenzamide.
What is the SMILES notation for 3-tert-butyl-5-[[2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetyl]amino]-N-piperidin-3-ylbenzamide?
The canonical SMILES for 3-tert-butyl-5-[[2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetyl]amino]-N-piperidin-3-ylbenzamide is CC(C)(C)c1cc(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c3ccccc23)cc(C(=O)NC2CCCNC2)c1.
What is the InChIKey of 3-tert-butyl-5-[[2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetyl]amino]-N-piperidin-3-ylbenzamide?
The InChIKey is SNKUXOOSUGSAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N4O5/c1-34(2,3)24-19-23(32(40)36-25-7-6-12-35-22-25)20-26(21-24)37-33(41)31(39)29-10-11-30(28-9-5-4-8-27(28)29)43-18-15-38-13-16-42-17-14-38/h4-5,8-11,19-21,25,35H,6-7,12-18,22H2,1-3H3,(H,36,40)(H,37,41).
What are the key properties of 3-tert-butyl-5-[[2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetyl]amino]-N-piperidin-3-ylbenzamide?
3-tert-butyl-5-[[2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetyl]amino]-N-piperidin-3-ylbenzamide has a molecular weight of 586.73 g/mol, XLogP of 4.15, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-[[2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetyl]amino]-N-piperidin-3-ylbenzamide is sourced from PubChem (CID 69252746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).