methyl 5-[benzyl-[2-(methylamino)acetyl]amino]-2-hydroxybenzoate

C18H20N2O4 — CID 90148130

IUPACmethyl 5-[benzyl-[2-(methylamino)acetyl]amino]-2-hydroxybenzoate
SMILESCNCC(=O)N(Cc1ccccc1)c1ccc(O)c(C(=O)OC)c1
InChIInChI=1S/C18H20N2O4/c1-19-11-17(22)20(12-13-6-4-3-5-7-13)14-8-9-16(21)15(10-14)18(23)24-2/h3-10,19,21H,11-12H2,1-2H3
InChIKeyIWZUYMFFLOXOCU-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.93
Rot. Bonds6

About methyl 5-[benzyl-[2-(methylamino)acetyl]amino]-2-hydroxybenzoate

methyl 5-[benzyl-[2-(methylamino)acetyl]amino]-2-hydroxybenzoate (PubChem CID 90148130) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is methyl 5-[benzyl-[2-(methylamino)acetyl]amino]-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 5-[benzyl-[2-(methylamino)acetyl]amino]-2-hydroxybenzoate
PubChem CID90148130
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Namemethyl 5-[benzyl-[2-(methylamino)acetyl]amino]-2-hydroxybenzoate
SMILESCNCC(=O)N(Cc1ccccc1)c1ccc(O)c(C(=O)OC)c1
InChIInChI=1S/C18H20N2O4/c1-19-11-17(22)20(12-13-6-4-3-5-7-13)14-8-9-16(21)15(10-14)18(23)24-2/h3-10,19,21H,11-12H2,1-2H3
InChIKeyIWZUYMFFLOXOCU-UHFFFAOYSA-N
XLogP1.93
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 5-[benzyl-[2-(methylamino)acetyl]amino]-2-hydroxybenzoate 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

N-benzyl-N-(3,4-dihydroxyphenyl)propanamide
CID 67853659
methyl 5-[(4-bromophenyl)methyl-(4-phenoxybenzoyl)amino]-2-hydroxybenzoate
CID 118365840
methyl 5-[[2-[benzyl-(4-phenylphenyl)sulfonylamino]acetyl]-[(4-morpholin-4-ylphenyl)methyl]amino]-2-hydroxybenzoate
CID 118365805
5-[benzyl(3-cyclopentylpropanoyl)amino]-2-hydroxybenzoic acid
CID 58693694
5-[benzyl-(4-phenoxybenzoyl)amino]-2-hydroxybenzoic acid
CID 74221821
methyl 2-amino-5-[benzyl(ethyl)amino]benzoate
CID 61307302
N-benzyl-N-(2-hydroxyethyl)-2-(methylamino)acetamide
CID 58786294
N-benzyl-2-(methylamino)-N-propylacetamide
CID 43401552
N-[2-(N-benzylanilino)-2-oxoethyl]-2-methoxybenzamide
CID 113000349
N-benzyl-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide
CID 54869876
methyl 4-[benzyl(phenyl)carbamoyl]benzoate
CID 24819418
N-benzyl-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120703570

Frequently Asked Questions

What is the IUPAC name of methyl 5-[benzyl-[2-(methylamino)acetyl]amino]-2-hydroxybenzoate?
The IUPAC name of methyl 5-[benzyl-[2-(methylamino)acetyl]amino]-2-hydroxybenzoate (CID 90148130) is methyl 5-[benzyl-[2-(methylamino)acetyl]amino]-2-hydroxybenzoate.
What is the SMILES notation for methyl 5-[benzyl-[2-(methylamino)acetyl]amino]-2-hydroxybenzoate?
The canonical SMILES for methyl 5-[benzyl-[2-(methylamino)acetyl]amino]-2-hydroxybenzoate is CNCC(=O)N(Cc1ccccc1)c1ccc(O)c(C(=O)OC)c1.
What is the InChIKey of methyl 5-[benzyl-[2-(methylamino)acetyl]amino]-2-hydroxybenzoate?
The InChIKey is IWZUYMFFLOXOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-19-11-17(22)20(12-13-6-4-3-5-7-13)14-8-9-16(21)15(10-14)18(23)24-2/h3-10,19,21H,11-12H2,1-2H3.
What are the key properties of methyl 5-[benzyl-[2-(methylamino)acetyl]amino]-2-hydroxybenzoate?
methyl 5-[benzyl-[2-(methylamino)acetyl]amino]-2-hydroxybenzoate has a molecular weight of 328.37 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[benzyl-[2-(methylamino)acetyl]amino]-2-hydroxybenzoate is sourced from PubChem (CID 90148130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).