2-naphthalen-1-yl-N-[3-[(2-naphthalen-1-ylacetyl)amino]propyl]acetamide

C27H26N2O2 — CID 2213775

IUPAC2-naphthalen-1-yl-N-[3-[(2-naphthalen-1-ylacetyl)amino]propyl]acetamide
SMILESO=C(Cc1cccc2ccccc12)NCCCNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C27H26N2O2/c30-26(18-22-12-5-10-20-8-1-3-14-24(20)22)28-16-7-17-29-27(31)19-23-13-6-11-21-9-2-4-15-25(21)23/h1-6,8-15H,7,16-19H2,(H,28,30)(H,29,31)
InChIKeyKPJTZGHHXPXQHN-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.40
Rot. Bonds8

About 2-naphthalen-1-yl-N-[3-[(2-naphthalen-1-ylacetyl)amino]propyl]acetamide

2-naphthalen-1-yl-N-[3-[(2-naphthalen-1-ylacetyl)amino]propyl]acetamide (PubChem CID 2213775) has the molecular formula C27H26N2O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-[3-[(2-naphthalen-1-ylacetyl)amino]propyl]acetamide.

Molecular Properties

Compound Name2-naphthalen-1-yl-N-[3-[(2-naphthalen-1-ylacetyl)amino]propyl]acetamide
PubChem CID2213775
Molecular FormulaC27H26N2O2
Molecular Weight410.52 g/mol
Exact Mass410.20
IUPAC Name2-naphthalen-1-yl-N-[3-[(2-naphthalen-1-ylacetyl)amino]propyl]acetamide
SMILESO=C(Cc1cccc2ccccc12)NCCCNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C27H26N2O2/c30-26(18-22-12-5-10-20-8-1-3-14-24(20)22)28-16-7-17-29-27(31)19-23-13-6-11-21-9-2-4-15-25(21)23/h1-6,8-15H,7,16-19H2,(H,28,30)(H,29,31)
InChIKeyKPJTZGHHXPXQHN-UHFFFAOYSA-N
XLogP4.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.40
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-naphthalen-1-yl-N-[3-[(2-naphthalen-1-ylacetyl)amino]propyl]acetamide?
The IUPAC name of 2-naphthalen-1-yl-N-[3-[(2-naphthalen-1-ylacetyl)amino]propyl]acetamide (CID 2213775) is 2-naphthalen-1-yl-N-[3-[(2-naphthalen-1-ylacetyl)amino]propyl]acetamide.
What is the SMILES notation for 2-naphthalen-1-yl-N-[3-[(2-naphthalen-1-ylacetyl)amino]propyl]acetamide?
The canonical SMILES for 2-naphthalen-1-yl-N-[3-[(2-naphthalen-1-ylacetyl)amino]propyl]acetamide is O=C(Cc1cccc2ccccc12)NCCCNC(=O)Cc1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-yl-N-[3-[(2-naphthalen-1-ylacetyl)amino]propyl]acetamide?
The InChIKey is KPJTZGHHXPXQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O2/c30-26(18-22-12-5-10-20-8-1-3-14-24(20)22)28-16-7-17-29-27(31)19-23-13-6-11-21-9-2-4-15-25(21)23/h1-6,8-15H,7,16-19H2,(H,28,30)(H,29,31).
What are the key properties of 2-naphthalen-1-yl-N-[3-[(2-naphthalen-1-ylacetyl)amino]propyl]acetamide?
2-naphthalen-1-yl-N-[3-[(2-naphthalen-1-ylacetyl)amino]propyl]acetamide has a molecular weight of 410.52 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-N-[3-[(2-naphthalen-1-ylacetyl)amino]propyl]acetamide is sourced from PubChem (CID 2213775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).