3-[2-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-N-(2-naphthalen-1-ylethyl)benzamide

C30H32N2O4 — CID 68836499

IUPAC3-[2-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-N-(2-naphthalen-1-ylethyl)benzamide
SMILESCC(Cc1cccc(C(=O)NCCc2cccc3ccccc23)c1)NCC(O)c1cc(O)cc(O)c1
InChIInChI=1S/C30H32N2O4/c1-20(32-19-29(35)25-16-26(33)18-27(34)17-25)14-21-6-4-10-24(15-21)30(36)31-13-12-23-9-5-8-22-7-2-3-11-28(22)23/h2-11,15-18,20,29,32-35H,12-14,19H2,1H3,(H,31,36)
InChIKeyISIZLQASCQLYMT-UHFFFAOYSA-N
MW484.60 g/mol
LogP4.48
Rot. Bonds10

About 3-[2-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-N-(2-naphthalen-1-ylethyl)benzamide

3-[2-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-N-(2-naphthalen-1-ylethyl)benzamide (PubChem CID 68836499) has the molecular formula C30H32N2O4 and a molecular weight of 484.60 g/mol. Its IUPAC name is 3-[2-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-N-(2-naphthalen-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-[2-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-N-(2-naphthalen-1-ylethyl)benzamide
PubChem CID68836499
Molecular FormulaC30H32N2O4
Molecular Weight484.60 g/mol
Exact Mass484.24
IUPAC Name3-[2-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-N-(2-naphthalen-1-ylethyl)benzamide
SMILESCC(Cc1cccc(C(=O)NCCc2cccc3ccccc23)c1)NCC(O)c1cc(O)cc(O)c1
InChIInChI=1S/C30H32N2O4/c1-20(32-19-29(35)25-16-26(33)18-27(34)17-25)14-21-6-4-10-24(15-21)30(36)31-13-12-23-9-5-8-22-7-2-3-11-28(22)23/h2-11,15-18,20,29,32-35H,12-14,19H2,1H3,(H,31,36)
InChIKeyISIZLQASCQLYMT-UHFFFAOYSA-N
XLogP4.48
TPSA101.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 3-[2-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-N-(2-naphthalen-1-ylethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(1S)-1-hydroxy-2-[[(2R)-1-naphthalen-1-ylpropan-2-yl]amino]ethyl]benzene-1,3-diol
CID 16736096
but-2-enedioic acid;5-[(1S)-1-hydroxy-2-[[(2S)-1-naphthalen-1-ylpropan-2-yl]amino]ethyl]benzene-1,3-diol
CID 67538447
but-2-enedioic acid;5-[(1S)-1-hydroxy-2-[[(2R)-1-naphthalen-1-ylpropan-2-yl]amino]ethyl]benzene-1,3-diol
CID 67539129
2-[3-[(2R)-2-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-[(2-methylsulfanylphenyl)methyl]acetamide
CID 163913441
5-[(1R)-1-hydroxy-2-[[(2R)-1-[3-[[2-[2-(trifluoromethyl)phenyl]ethylamino]methyl]phenyl]propan-2-yl]amino]ethyl]benzene-1,3-diol
CID 162551626
5-[(1S)-2-[[(2R)-1-(3-aminophenyl)propan-2-yl]amino]-1-hydroxyethyl]benzene-1,3-diol
CID 123133226
2-[3-[2-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide
CID 68836829
3-[2-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]-2-methylpropyl]-N-[2-(4-methylphenyl)ethyl]benzamide
CID 143112752
3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]benzamide
CID 69221305
2-hydroxy-N-(2-naphthalen-1-ylethyl)propanamide
CID 115140997
N-(2-naphthalen-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46461593
3-[(2R)-2-[[(2R)-2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-2-hydroxyethyl]amino]propyl]-N-[2-(4-hydroxy-3-methylphenyl)ethyl]benzamide
CID 59713496

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-N-(2-naphthalen-1-ylethyl)benzamide?
The IUPAC name of 3-[2-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-N-(2-naphthalen-1-ylethyl)benzamide (CID 68836499) is 3-[2-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-N-(2-naphthalen-1-ylethyl)benzamide.
What is the SMILES notation for 3-[2-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-N-(2-naphthalen-1-ylethyl)benzamide?
The canonical SMILES for 3-[2-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-N-(2-naphthalen-1-ylethyl)benzamide is CC(Cc1cccc(C(=O)NCCc2cccc3ccccc23)c1)NCC(O)c1cc(O)cc(O)c1.
What is the InChIKey of 3-[2-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-N-(2-naphthalen-1-ylethyl)benzamide?
The InChIKey is ISIZLQASCQLYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O4/c1-20(32-19-29(35)25-16-26(33)18-27(34)17-25)14-21-6-4-10-24(15-21)30(36)31-13-12-23-9-5-8-22-7-2-3-11-28(22)23/h2-11,15-18,20,29,32-35H,12-14,19H2,1H3,(H,31,36).
What are the key properties of 3-[2-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-N-(2-naphthalen-1-ylethyl)benzamide?
3-[2-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-N-(2-naphthalen-1-ylethyl)benzamide has a molecular weight of 484.60 g/mol, XLogP of 4.48, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-N-(2-naphthalen-1-ylethyl)benzamide is sourced from PubChem (CID 68836499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).