4-[(Z)-2-[[ethyl(2-morpholin-4-ylethyl)amino]methyl]-3-naphthalen-1-yloxyprop-1-enyl]benzoic acid

C29H34N2O4 — CID 66987270

IUPAC4-[(Z)-2-[[ethyl(2-morpholin-4-ylethyl)amino]methyl]-3-naphthalen-1-yloxyprop-1-enyl]benzoic acid
SMILESCCN(CCN1CCOCC1)C/C(=C/c1ccc(C(=O)O)cc1)COc1cccc2ccccc12
InChIInChI=1S/C29H34N2O4/c1-2-30(14-15-31-16-18-34-19-17-31)21-24(20-23-10-12-26(13-11-23)29(32)33)22-35-28-9-5-7-25-6-3-4-8-27(25)28/h3-13,20H,2,14-19,21-22H2,1H3,(H,32,33)/b24-20-
InChIKeyQGSQPTRECOKGGS-GFMRDNFCSA-N
MW474.60 g/mol
LogP4.65
Rot. Bonds11

About 4-[(Z)-2-[[ethyl(2-morpholin-4-ylethyl)amino]methyl]-3-naphthalen-1-yloxyprop-1-enyl]benzoic acid

4-[(Z)-2-[[ethyl(2-morpholin-4-ylethyl)amino]methyl]-3-naphthalen-1-yloxyprop-1-enyl]benzoic acid (PubChem CID 66987270) has the molecular formula C29H34N2O4 and a molecular weight of 474.60 g/mol. Its IUPAC name is 4-[(Z)-2-[[ethyl(2-morpholin-4-ylethyl)amino]methyl]-3-naphthalen-1-yloxyprop-1-enyl]benzoic acid.

Molecular Properties

Compound Name4-[(Z)-2-[[ethyl(2-morpholin-4-ylethyl)amino]methyl]-3-naphthalen-1-yloxyprop-1-enyl]benzoic acid
PubChem CID66987270
Molecular FormulaC29H34N2O4
Molecular Weight474.60 g/mol
Exact Mass474.25
IUPAC Name4-[(Z)-2-[[ethyl(2-morpholin-4-ylethyl)amino]methyl]-3-naphthalen-1-yloxyprop-1-enyl]benzoic acid
SMILESCCN(CCN1CCOCC1)C/C(=C/c1ccc(C(=O)O)cc1)COc1cccc2ccccc12
InChIInChI=1S/C29H34N2O4/c1-2-30(14-15-31-16-18-34-19-17-31)21-24(20-23-10-12-26(13-11-23)29(32)33)22-35-28-9-5-7-25-6-3-4-8-27(25)28/h3-13,20H,2,14-19,21-22H2,1H3,(H,32,33)/b24-20-
InChIKeyQGSQPTRECOKGGS-GFMRDNFCSA-N
XLogP4.65
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.60
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(Z)-2-[[ethyl(2-morpholin-4-ylethyl)amino]methyl]-3-naphthalen-1-yloxyprop-1-enyl]benzoic acid with MolForge

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Related Compounds

4-[2-[[cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3-naphthalen-1-yloxyprop-1-enyl]benzoic acid
CID 66986865
4-[2-[[(1-ethylpiperidin-4-yl)amino]methyl]-3-naphthalen-1-yloxyprop-1-enyl]benzoic acid
CID 66987208
4-[(E)-2-[[3-imidazol-1-ylpropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3-naphthalen-1-yloxyprop-1-enyl]benzoic acid
CID 66987030
4-[(E)-2-[[[3-(dimethylamino)-2,2-dimethylpropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3-naphthalen-1-yloxyprop-1-enyl]benzoic acid
CID 66987177
4-[(E)-2-[[2-(4-hydroxyphenyl)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3-naphthalen-1-yloxyprop-1-enyl]benzoic acid
CID 66987045
methyl 4-[(Z)-2-(naphthalen-1-yloxymethyl)-3-piperidin-1-ylprop-1-enyl]benzoate
CID 142687999
methyl 4-[2-[(N-ethyl-2-hydroxyanilino)methyl]-3-naphthalen-1-yloxyprop-1-enyl]benzoate
CID 91299887
1-morpholin-4-yl-2-naphthalen-1-yloxyethanone
CID 954548
methyl 4-[(E)-2-(bromomethyl)-3-naphthalen-1-yloxyprop-1-enyl]benzoate
CID 59245026
4-[(Z)-2-[[(1-cyclopropylpyrrolidin-3-yl)amino]methyl]-3-naphthalen-1-yloxyprop-1-enyl]benzoic acid
CID 66987405
methyl 4-[(Z)-2-[[2-(dimethylamino)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3-naphthalen-1-yloxyprop-1-enyl]benzoate
CID 142688001
4-[4-(2-naphthalen-1-yloxyacetyl)piperazine-1-carbonyl]benzoic acid
CID 2050449

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-[[ethyl(2-morpholin-4-ylethyl)amino]methyl]-3-naphthalen-1-yloxyprop-1-enyl]benzoic acid?
The IUPAC name of 4-[(Z)-2-[[ethyl(2-morpholin-4-ylethyl)amino]methyl]-3-naphthalen-1-yloxyprop-1-enyl]benzoic acid (CID 66987270) is 4-[(Z)-2-[[ethyl(2-morpholin-4-ylethyl)amino]methyl]-3-naphthalen-1-yloxyprop-1-enyl]benzoic acid.
What is the SMILES notation for 4-[(Z)-2-[[ethyl(2-morpholin-4-ylethyl)amino]methyl]-3-naphthalen-1-yloxyprop-1-enyl]benzoic acid?
The canonical SMILES for 4-[(Z)-2-[[ethyl(2-morpholin-4-ylethyl)amino]methyl]-3-naphthalen-1-yloxyprop-1-enyl]benzoic acid is CCN(CCN1CCOCC1)C/C(=C/c1ccc(C(=O)O)cc1)COc1cccc2ccccc12.
What is the InChIKey of 4-[(Z)-2-[[ethyl(2-morpholin-4-ylethyl)amino]methyl]-3-naphthalen-1-yloxyprop-1-enyl]benzoic acid?
The InChIKey is QGSQPTRECOKGGS-GFMRDNFCSA-N. The full InChI is InChI=1S/C29H34N2O4/c1-2-30(14-15-31-16-18-34-19-17-31)21-24(20-23-10-12-26(13-11-23)29(32)33)22-35-28-9-5-7-25-6-3-4-8-27(25)28/h3-13,20H,2,14-19,21-22H2,1H3,(H,32,33)/b24-20-.
What are the key properties of 4-[(Z)-2-[[ethyl(2-morpholin-4-ylethyl)amino]methyl]-3-naphthalen-1-yloxyprop-1-enyl]benzoic acid?
4-[(Z)-2-[[ethyl(2-morpholin-4-ylethyl)amino]methyl]-3-naphthalen-1-yloxyprop-1-enyl]benzoic acid has a molecular weight of 474.60 g/mol, XLogP of 4.65, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-[[ethyl(2-morpholin-4-ylethyl)amino]methyl]-3-naphthalen-1-yloxyprop-1-enyl]benzoic acid is sourced from PubChem (CID 66987270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).