ethyl 4-[[5-(6-methoxynaphthalen-2-yl)-1-(3-methylphenyl)-3-oxopentyl]amino]benzoate

C32H33NO4 — CID 46239422

IUPACethyl 4-[[5-(6-methoxynaphthalen-2-yl)-1-(3-methylphenyl)-3-oxopentyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(CC(=O)CCc2ccc3cc(OC)ccc3c2)c2cccc(C)c2)cc1
InChIInChI=1S/C32H33NO4/c1-4-37-32(35)24-11-14-28(15-12-24)33-31(27-7-5-6-22(2)18-27)21-29(34)16-9-23-8-10-26-20-30(36-3)17-13-25(26)19-23/h5-8,10-15,17-20,31,33H,4,9,16,21H2,1-3H3
InChIKeyHVOMASMRJZJERN-UHFFFAOYSA-N
MW495.62 g/mol
LogP7.08
Rot. Bonds11

About ethyl 4-[[5-(6-methoxynaphthalen-2-yl)-1-(3-methylphenyl)-3-oxopentyl]amino]benzoate

ethyl 4-[[5-(6-methoxynaphthalen-2-yl)-1-(3-methylphenyl)-3-oxopentyl]amino]benzoate (PubChem CID 46239422) has the molecular formula C32H33NO4 and a molecular weight of 495.62 g/mol. Its IUPAC name is ethyl 4-[[5-(6-methoxynaphthalen-2-yl)-1-(3-methylphenyl)-3-oxopentyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[5-(6-methoxynaphthalen-2-yl)-1-(3-methylphenyl)-3-oxopentyl]amino]benzoate
PubChem CID46239422
Molecular FormulaC32H33NO4
Molecular Weight495.62 g/mol
Exact Mass495.24
IUPAC Nameethyl 4-[[5-(6-methoxynaphthalen-2-yl)-1-(3-methylphenyl)-3-oxopentyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(CC(=O)CCc2ccc3cc(OC)ccc3c2)c2cccc(C)c2)cc1
InChIInChI=1S/C32H33NO4/c1-4-37-32(35)24-11-14-28(15-12-24)33-31(27-7-5-6-22(2)18-27)21-29(34)16-9-23-8-10-26-20-30(36-3)17-13-25(26)19-23/h5-8,10-15,17-20,31,33H,4,9,16,21H2,1-3H3
InChIKeyHVOMASMRJZJERN-UHFFFAOYSA-N
XLogP7.08
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.62
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[5-(6-methoxynaphthalen-2-yl)-1-(3-methylphenyl)-3-oxopentyl]amino]benzoate with MolForge

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Related Compounds

ethyl 4-[[1-(4-methylphenyl)-3-oxo-5-phenylpentyl]amino]benzoate
CID 171975803
4-[[1-(1,3-benzodioxol-5-yl)-5-(6-methoxynaphthalen-2-yl)-3-oxopentyl]amino]benzenesulfonamide
CID 46872529
ethyl 5-(6-methoxynaphthalen-2-yl)-3-oxopentanoate
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1-amino-1-(4-chlorophenyl)-5-(6-methoxynaphthalen-2-yl)pentan-3-one
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ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
ethyl 4-[2-(3-methylphenyl)ethylcarbamoylamino]benzoate
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(3R)-3-(4-ethylanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 100816884
ethyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate
CID 113098824
ethyl 4-[diphenylphosphanyl-(4-methoxyanilino)methyl]benzoate
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CID 976671
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CID 102577754

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-(6-methoxynaphthalen-2-yl)-1-(3-methylphenyl)-3-oxopentyl]amino]benzoate?
The IUPAC name of ethyl 4-[[5-(6-methoxynaphthalen-2-yl)-1-(3-methylphenyl)-3-oxopentyl]amino]benzoate (CID 46239422) is ethyl 4-[[5-(6-methoxynaphthalen-2-yl)-1-(3-methylphenyl)-3-oxopentyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[5-(6-methoxynaphthalen-2-yl)-1-(3-methylphenyl)-3-oxopentyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[5-(6-methoxynaphthalen-2-yl)-1-(3-methylphenyl)-3-oxopentyl]amino]benzoate is CCOC(=O)c1ccc(NC(CC(=O)CCc2ccc3cc(OC)ccc3c2)c2cccc(C)c2)cc1.
What is the InChIKey of ethyl 4-[[5-(6-methoxynaphthalen-2-yl)-1-(3-methylphenyl)-3-oxopentyl]amino]benzoate?
The InChIKey is HVOMASMRJZJERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33NO4/c1-4-37-32(35)24-11-14-28(15-12-24)33-31(27-7-5-6-22(2)18-27)21-29(34)16-9-23-8-10-26-20-30(36-3)17-13-25(26)19-23/h5-8,10-15,17-20,31,33H,4,9,16,21H2,1-3H3.
What are the key properties of ethyl 4-[[5-(6-methoxynaphthalen-2-yl)-1-(3-methylphenyl)-3-oxopentyl]amino]benzoate?
ethyl 4-[[5-(6-methoxynaphthalen-2-yl)-1-(3-methylphenyl)-3-oxopentyl]amino]benzoate has a molecular weight of 495.62 g/mol, XLogP of 7.08, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-(6-methoxynaphthalen-2-yl)-1-(3-methylphenyl)-3-oxopentyl]amino]benzoate is sourced from PubChem (CID 46239422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).