methyl 2-[[4-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]benzoyl]amino]acetate

C24H23N3O5 — CID 55441060

IUPACmethyl 2-[[4-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(NC(=O)CNC(=O)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C24H23N3O5/c1-32-23(30)15-26-24(31)17-9-11-19(12-10-17)27-22(29)14-25-21(28)13-18-7-4-6-16-5-2-3-8-20(16)18/h2-12H,13-15H2,1H3,(H,25,28)(H,26,31)(H,27,29)
InChIKeyQPBSSCFZUYWLNB-UHFFFAOYSA-N
MW433.46 g/mol
LogP2.04
Rot. Bonds8

About methyl 2-[[4-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]benzoyl]amino]acetate

methyl 2-[[4-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]benzoyl]amino]acetate (PubChem CID 55441060) has the molecular formula C24H23N3O5 and a molecular weight of 433.46 g/mol. Its IUPAC name is methyl 2-[[4-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]benzoyl]amino]acetate
PubChem CID55441060
Molecular FormulaC24H23N3O5
Molecular Weight433.46 g/mol
Exact Mass433.16
IUPAC Namemethyl 2-[[4-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(NC(=O)CNC(=O)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C24H23N3O5/c1-32-23(30)15-26-24(31)17-9-11-19(12-10-17)27-22(29)14-25-21(28)13-18-7-4-6-16-5-2-3-8-20(16)18/h2-12H,13-15H2,1H3,(H,25,28)(H,26,31)(H,27,29)
InChIKeyQPBSSCFZUYWLNB-UHFFFAOYSA-N
XLogP2.04
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[4-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]benzoyl]amino]acetate 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-[2-(4-ethoxyanilino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 7779976
N-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 55959917
N-methyl-4-[(2-naphthalen-1-ylacetyl)amino]benzamide
CID 8700251
N-[2-[(6-methoxy-3-pyridinyl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 7478533
methyl 2-[[4-(propanoylamino)benzoyl]amino]acetate
CID 2985304
N-methyl-3-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]benzamide
CID 51165469
N-(3-methoxypropyl)-4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzamide
CID 17205303
methyl 4-[[2-[[2-(2-fluorophenyl)acetyl]amino]acetyl]amino]benzoate
CID 112999954
N-methyl-4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzamide
CID 28642901
N-[2-(ethylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 18145666
N-(2,4-dimethylphenyl)-4-[(2-naphthalen-1-ylacetyl)amino]benzamide
CID 7311940
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51163773

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]benzoyl]amino]acetate?
The IUPAC name of methyl 2-[[4-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]benzoyl]amino]acetate (CID 55441060) is methyl 2-[[4-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[4-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[[4-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]benzoyl]amino]acetate is COC(=O)CNC(=O)c1ccc(NC(=O)CNC(=O)Cc2cccc3ccccc23)cc1.
What is the InChIKey of methyl 2-[[4-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]benzoyl]amino]acetate?
The InChIKey is QPBSSCFZUYWLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5/c1-32-23(30)15-26-24(31)17-9-11-19(12-10-17)27-22(29)14-25-21(28)13-18-7-4-6-16-5-2-3-8-20(16)18/h2-12H,13-15H2,1H3,(H,25,28)(H,26,31)(H,27,29).
What are the key properties of methyl 2-[[4-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]benzoyl]amino]acetate?
methyl 2-[[4-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]benzoyl]amino]acetate has a molecular weight of 433.46 g/mol, XLogP of 2.04, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]benzoyl]amino]acetate is sourced from PubChem (CID 55441060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).