benzyl 2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetate

C23H22N2O4 — CID 7980388

IUPACbenzyl 2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetate
SMILESO=C(CNC(=O)Cc1cccc2ccccc12)NCC(=O)OCc1ccccc1
InChIInChI=1S/C23H22N2O4/c26-21(13-19-11-6-10-18-9-4-5-12-20(18)19)24-14-22(27)25-15-23(28)29-16-17-7-2-1-3-8-17/h1-12H,13-16H2,(H,24,26)(H,25,27)
InChIKeyPRLBEQSAXBXEOW-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.36
Rot. Bonds8

About benzyl 2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetate

benzyl 2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetate (PubChem CID 7980388) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is benzyl 2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetate
PubChem CID7980388
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Namebenzyl 2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetate
SMILESO=C(CNC(=O)Cc1cccc2ccccc12)NCC(=O)OCc1ccccc1
InChIInChI=1S/C23H22N2O4/c26-21(13-19-11-6-10-18-9-4-5-12-20(18)19)24-14-22(27)25-15-23(28)29-16-17-7-2-1-3-8-17/h1-12H,13-16H2,(H,24,26)(H,25,27)
InChIKeyPRLBEQSAXBXEOW-UHFFFAOYSA-N
XLogP2.36
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze benzyl 2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]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

benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid
CID 108797411
naphthalen-1-ylmethyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
CID 3158543
(4-phenylphenyl)methyl 2-[(2-phenylacetyl)amino]acetate
CID 7826713
N-[2-(ethylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 18145666
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51163773
N-(2-amino-2-oxoethyl)-2-naphthalen-1-ylacetamide
CID 9294847
2-naphthalen-1-yl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]acetamide
CID 9163230
[2-(cyclopropylamino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8574122
[2-(3-ethylanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8573254
2-naphthalen-1-yl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
CID 7676413
2-[[4-oxo-4-[(2-oxo-2-phenylmethoxyethyl)amino]butanoyl]amino]acetic acid
CID 139916418

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetate?
The IUPAC name of benzyl 2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetate (CID 7980388) is benzyl 2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetate.
What is the SMILES notation for benzyl 2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetate?
The canonical SMILES for benzyl 2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetate is O=C(CNC(=O)Cc1cccc2ccccc12)NCC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetate?
The InChIKey is PRLBEQSAXBXEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c26-21(13-19-11-6-10-18-9-4-5-12-20(18)19)24-14-22(27)25-15-23(28)29-16-17-7-2-1-3-8-17/h1-12H,13-16H2,(H,24,26)(H,25,27).
What are the key properties of benzyl 2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetate?
benzyl 2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetate has a molecular weight of 390.44 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetate is sourced from PubChem (CID 7980388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).