2-[[2-[(2-naphthalen-1-ylacetyl)amino]benzoyl]amino]acetic acid

C21H18N2O4 — CID 134594660

IUPAC2-[[2-[(2-naphthalen-1-ylacetyl)amino]benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccccc1NC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C21H18N2O4/c24-19(12-15-8-5-7-14-6-1-2-9-16(14)15)23-18-11-4-3-10-17(18)21(27)22-13-20(25)26/h1-11H,12-13H2,(H,22,27)(H,23,24)(H,25,26)
InChIKeyPJUAGKCWYHIHSQ-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.84
Rot. Bonds6

About 2-[[2-[(2-naphthalen-1-ylacetyl)amino]benzoyl]amino]acetic acid

2-[[2-[(2-naphthalen-1-ylacetyl)amino]benzoyl]amino]acetic acid (PubChem CID 134594660) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 2-[[2-[(2-naphthalen-1-ylacetyl)amino]benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(2-naphthalen-1-ylacetyl)amino]benzoyl]amino]acetic acid
PubChem CID134594660
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name2-[[2-[(2-naphthalen-1-ylacetyl)amino]benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccccc1NC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C21H18N2O4/c24-19(12-15-8-5-7-14-6-1-2-9-16(14)15)23-18-11-4-3-10-17(18)21(27)22-13-20(25)26/h1-11H,12-13H2,(H,22,27)(H,23,24)(H,25,26)
InChIKeyPJUAGKCWYHIHSQ-UHFFFAOYSA-N
XLogP2.84
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid
CID 108797411
N-(2-ethylphenyl)-2-naphthalen-1-ylacetamide
CID 1228282
2-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzoate
CID 2405590
N-(2-bromophenyl)-2-naphthalen-1-ylacetamide
CID 835456
N-(2,3-dimethylphenyl)-2-naphthalen-1-ylacetamide
CID 1228165
2-[[2-[(2-aminobenzoyl)amino]benzoyl]amino]acetic acid
CID 10686637
N-cyclohexyl-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]benzamide
CID 4938970
N-(2-amino-2-oxoethyl)-2-naphthalen-1-ylacetamide
CID 9294847
N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-2-phenylacetamide
CID 24637856
2-(3-naphthalen-1-ylpropanoylamino)benzamide
CID 53278686
2-[[(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]amino]acetic acid
CID 122366195
N-(1,3-dioxoisoindol-4-yl)-2-naphthalen-1-ylacetamide
CID 727482

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-naphthalen-1-ylacetyl)amino]benzoyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(2-naphthalen-1-ylacetyl)amino]benzoyl]amino]acetic acid (CID 134594660) is 2-[[2-[(2-naphthalen-1-ylacetyl)amino]benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(2-naphthalen-1-ylacetyl)amino]benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(2-naphthalen-1-ylacetyl)amino]benzoyl]amino]acetic acid is O=C(O)CNC(=O)c1ccccc1NC(=O)Cc1cccc2ccccc12.
What is the InChIKey of 2-[[2-[(2-naphthalen-1-ylacetyl)amino]benzoyl]amino]acetic acid?
The InChIKey is PJUAGKCWYHIHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c24-19(12-15-8-5-7-14-6-1-2-9-16(14)15)23-18-11-4-3-10-17(18)21(27)22-13-20(25)26/h1-11H,12-13H2,(H,22,27)(H,23,24)(H,25,26).
What are the key properties of 2-[[2-[(2-naphthalen-1-ylacetyl)amino]benzoyl]amino]acetic acid?
2-[[2-[(2-naphthalen-1-ylacetyl)amino]benzoyl]amino]acetic acid has a molecular weight of 362.39 g/mol, XLogP of 2.84, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-naphthalen-1-ylacetyl)amino]benzoyl]amino]acetic acid is sourced from PubChem (CID 134594660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).