2-[(2-naphthalen-2-ylacetyl)amino]octanoic acid

C20H25NO3 — CID 44601510

IUPAC2-[(2-naphthalen-2-ylacetyl)amino]octanoic acid
SMILESCCCCCCC(NC(=O)Cc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C20H25NO3/c1-2-3-4-5-10-18(20(23)24)21-19(22)14-15-11-12-16-8-6-7-9-17(16)13-15/h6-9,11-13,18H,2-5,10,14H2,1H3,(H,21,22)(H,23,24)
InChIKeySBCBFEMLWQXISN-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.92
Rot. Bonds9

About 2-[(2-naphthalen-2-ylacetyl)amino]octanoic acid

2-[(2-naphthalen-2-ylacetyl)amino]octanoic acid (PubChem CID 44601510) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 2-[(2-naphthalen-2-ylacetyl)amino]octanoic acid.

Molecular Properties

Compound Name2-[(2-naphthalen-2-ylacetyl)amino]octanoic acid
PubChem CID44601510
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name2-[(2-naphthalen-2-ylacetyl)amino]octanoic acid
SMILESCCCCCCC(NC(=O)Cc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C20H25NO3/c1-2-3-4-5-10-18(20(23)24)21-19(22)14-15-11-12-16-8-6-7-9-17(16)13-15/h6-9,11-13,18H,2-5,10,14H2,1H3,(H,21,22)(H,23,24)
InChIKeySBCBFEMLWQXISN-UHFFFAOYSA-N
XLogP3.92
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-[(2-naphthalen-2-ylacetyl)amino]octanoic acid?
The IUPAC name of 2-[(2-naphthalen-2-ylacetyl)amino]octanoic acid (CID 44601510) is 2-[(2-naphthalen-2-ylacetyl)amino]octanoic acid.
What is the SMILES notation for 2-[(2-naphthalen-2-ylacetyl)amino]octanoic acid?
The canonical SMILES for 2-[(2-naphthalen-2-ylacetyl)amino]octanoic acid is CCCCCCC(NC(=O)Cc1ccc2ccccc2c1)C(=O)O.
What is the InChIKey of 2-[(2-naphthalen-2-ylacetyl)amino]octanoic acid?
The InChIKey is SBCBFEMLWQXISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-2-3-4-5-10-18(20(23)24)21-19(22)14-15-11-12-16-8-6-7-9-17(16)13-15/h6-9,11-13,18H,2-5,10,14H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-[(2-naphthalen-2-ylacetyl)amino]octanoic acid?
2-[(2-naphthalen-2-ylacetyl)amino]octanoic acid has a molecular weight of 327.42 g/mol, XLogP of 3.92, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-naphthalen-2-ylacetyl)amino]octanoic acid is sourced from PubChem (CID 44601510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).