methanol;3-[4-[2-[methyl(naphthalen-1-ylmethyl)amino]-2-oxoethoxy]phenyl]propanoic acid

C24H27NO5 — CID 142868295

IUPACmethanol;3-[4-[2-[methyl(naphthalen-1-ylmethyl)amino]-2-oxoethoxy]phenyl]propanoic acid
SMILESCN(Cc1cccc2ccccc12)C(=O)COc1ccc(CCC(=O)O)cc1.CO
InChIInChI=1S/C23H23NO4.CH4O/c1-24(15-19-7-4-6-18-5-2-3-8-21(18)19)22(25)16-28-20-12-9-17(10-13-20)11-14-23(26)27;1-2/h2-10,12-13H,11,14-16H2,1H3,(H,26,27);2H,1H3
InChIKeyUFZNMMUCLSODPY-UHFFFAOYSA-N
MW409.48 g/mol
LogP3.50
Rot. Bonds8

About methanol;3-[4-[2-[methyl(naphthalen-1-ylmethyl)amino]-2-oxoethoxy]phenyl]propanoic acid

methanol;3-[4-[2-[methyl(naphthalen-1-ylmethyl)amino]-2-oxoethoxy]phenyl]propanoic acid (PubChem CID 142868295) has the molecular formula C24H27NO5 and a molecular weight of 409.48 g/mol. Its IUPAC name is methanol;3-[4-[2-[methyl(naphthalen-1-ylmethyl)amino]-2-oxoethoxy]phenyl]propanoic acid.

Molecular Properties

Compound Namemethanol;3-[4-[2-[methyl(naphthalen-1-ylmethyl)amino]-2-oxoethoxy]phenyl]propanoic acid
PubChem CID142868295
Molecular FormulaC24H27NO5
Molecular Weight409.48 g/mol
Exact Mass409.19
IUPAC Namemethanol;3-[4-[2-[methyl(naphthalen-1-ylmethyl)amino]-2-oxoethoxy]phenyl]propanoic acid
SMILESCN(Cc1cccc2ccccc12)C(=O)COc1ccc(CCC(=O)O)cc1.CO
InChIInChI=1S/C23H23NO4.CH4O/c1-24(15-19-7-4-6-18-5-2-3-8-21(18)19)22(25)16-28-20-12-9-17(10-13-20)11-14-23(26)27;1-2/h2-10,12-13H,11,14-16H2,1H3,(H,26,27);2H,1H3
InChIKeyUFZNMMUCLSODPY-UHFFFAOYSA-N
XLogP3.50
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methanol;3-[4-[2-[methyl(naphthalen-1-ylmethyl)amino]-2-oxoethoxy]phenyl]propanoic acid 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

3-[4-[2-[benzyl(2-phenylethyl)amino]-2-oxoethoxy]phenyl]propanoic acid
CID 142845017
2-[4-[2-[ethyl(methyl)amino]-2-oxoethoxy]phenyl]acetic acid
CID 43309389
3-[methyl-(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 60989846
4-hydroxy-N-methyl-N-(naphthalen-1-ylmethyl)butanamide
CID 115163076
N-[(2-bromophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 78780684
N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-naphthalen-2-yloxyacetamide
CID 7930348
2-(4-aminophenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 61028416
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
3-[5-[2-[methyl(2-phenylethyl)amino]-2-oxoethoxy]-1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]indol-3-yl]propanoic acid
CID 54082208
3-[4-(2,3-dimethylbut-2-enoxy)phenyl]propanoic acid
CID 166628127
N-[(4-hydroxyphenyl)methyl]-N-methyl-2-naphthalen-2-yloxyacetamide
CID 51114602
N-ethyl-2-[4-[(3E)-3-hydroxyiminobutyl]phenoxy]-N-methylacetamide
CID 43309750

Frequently Asked Questions

What is the IUPAC name of methanol;3-[4-[2-[methyl(naphthalen-1-ylmethyl)amino]-2-oxoethoxy]phenyl]propanoic acid?
The IUPAC name of methanol;3-[4-[2-[methyl(naphthalen-1-ylmethyl)amino]-2-oxoethoxy]phenyl]propanoic acid (CID 142868295) is methanol;3-[4-[2-[methyl(naphthalen-1-ylmethyl)amino]-2-oxoethoxy]phenyl]propanoic acid.
What is the SMILES notation for methanol;3-[4-[2-[methyl(naphthalen-1-ylmethyl)amino]-2-oxoethoxy]phenyl]propanoic acid?
The canonical SMILES for methanol;3-[4-[2-[methyl(naphthalen-1-ylmethyl)amino]-2-oxoethoxy]phenyl]propanoic acid is CN(Cc1cccc2ccccc12)C(=O)COc1ccc(CCC(=O)O)cc1.CO.
What is the InChIKey of methanol;3-[4-[2-[methyl(naphthalen-1-ylmethyl)amino]-2-oxoethoxy]phenyl]propanoic acid?
The InChIKey is UFZNMMUCLSODPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4.CH4O/c1-24(15-19-7-4-6-18-5-2-3-8-21(18)19)22(25)16-28-20-12-9-17(10-13-20)11-14-23(26)27;1-2/h2-10,12-13H,11,14-16H2,1H3,(H,26,27);2H,1H3.
What are the key properties of methanol;3-[4-[2-[methyl(naphthalen-1-ylmethyl)amino]-2-oxoethoxy]phenyl]propanoic acid?
methanol;3-[4-[2-[methyl(naphthalen-1-ylmethyl)amino]-2-oxoethoxy]phenyl]propanoic acid has a molecular weight of 409.48 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;3-[4-[2-[methyl(naphthalen-1-ylmethyl)amino]-2-oxoethoxy]phenyl]propanoic acid is sourced from PubChem (CID 142868295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).