4-[[2-[methyl(naphthalene-2-carbonyl)amino]benzoyl]amino]butanoic acid

C23H22N2O4 — CID 90676733

IUPAC4-[[2-[methyl(naphthalene-2-carbonyl)amino]benzoyl]amino]butanoic acid
SMILESCN(C(=O)c1ccc2ccccc2c1)c1ccccc1C(=O)NCCCC(=O)O
InChIInChI=1S/C23H22N2O4/c1-25(23(29)18-13-12-16-7-2-3-8-17(16)15-18)20-10-5-4-9-19(20)22(28)24-14-6-11-21(26)27/h2-5,7-10,12-13,15H,6,11,14H2,1H3,(H,24,28)(H,26,27)
InChIKeyZJUNJVJSJSAMQH-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.71
Rot. Bonds7

About 4-[[2-[methyl(naphthalene-2-carbonyl)amino]benzoyl]amino]butanoic acid

4-[[2-[methyl(naphthalene-2-carbonyl)amino]benzoyl]amino]butanoic acid (PubChem CID 90676733) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 4-[[2-[methyl(naphthalene-2-carbonyl)amino]benzoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[2-[methyl(naphthalene-2-carbonyl)amino]benzoyl]amino]butanoic acid
PubChem CID90676733
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name4-[[2-[methyl(naphthalene-2-carbonyl)amino]benzoyl]amino]butanoic acid
SMILESCN(C(=O)c1ccc2ccccc2c1)c1ccccc1C(=O)NCCCC(=O)O
InChIInChI=1S/C23H22N2O4/c1-25(23(29)18-13-12-16-7-2-3-8-17(16)15-18)20-10-5-4-9-19(20)22(28)24-14-6-11-21(26)27/h2-5,7-10,12-13,15H,6,11,14H2,1H3,(H,24,28)(H,26,27)
InChIKeyZJUNJVJSJSAMQH-UHFFFAOYSA-N
XLogP3.71
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[methyl(naphthalene-2-carbonyl)amino]benzoyl]amino]butanoic acid?
The IUPAC name of 4-[[2-[methyl(naphthalene-2-carbonyl)amino]benzoyl]amino]butanoic acid (CID 90676733) is 4-[[2-[methyl(naphthalene-2-carbonyl)amino]benzoyl]amino]butanoic acid.
What is the SMILES notation for 4-[[2-[methyl(naphthalene-2-carbonyl)amino]benzoyl]amino]butanoic acid?
The canonical SMILES for 4-[[2-[methyl(naphthalene-2-carbonyl)amino]benzoyl]amino]butanoic acid is CN(C(=O)c1ccc2ccccc2c1)c1ccccc1C(=O)NCCCC(=O)O.
What is the InChIKey of 4-[[2-[methyl(naphthalene-2-carbonyl)amino]benzoyl]amino]butanoic acid?
The InChIKey is ZJUNJVJSJSAMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-25(23(29)18-13-12-16-7-2-3-8-17(16)15-18)20-10-5-4-9-19(20)22(28)24-14-6-11-21(26)27/h2-5,7-10,12-13,15H,6,11,14H2,1H3,(H,24,28)(H,26,27).
What are the key properties of 4-[[2-[methyl(naphthalene-2-carbonyl)amino]benzoyl]amino]butanoic acid?
4-[[2-[methyl(naphthalene-2-carbonyl)amino]benzoyl]amino]butanoic acid has a molecular weight of 390.44 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[methyl(naphthalene-2-carbonyl)amino]benzoyl]amino]butanoic acid is sourced from PubChem (CID 90676733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).