N-cyclooctyl-2-(naphthalen-1-ylamino)benzamide

C25H28N2O — CID 17385247

IUPACN-cyclooctyl-2-(naphthalen-1-ylamino)benzamide
SMILESO=C(NC1CCCCCCC1)c1ccccc1Nc1cccc2ccccc12
InChIInChI=1S/C25H28N2O/c28-25(26-20-13-4-2-1-3-5-14-20)22-16-8-9-17-24(22)27-23-18-10-12-19-11-6-7-15-21(19)23/h6-12,15-18,20,27H,1-5,13-14H2,(H,26,28)
InChIKeyHPTICAHOXFJVHA-UHFFFAOYSA-N
MW372.51 g/mol
LogP6.43
Rot. Bonds4

About N-cyclooctyl-2-(naphthalen-1-ylamino)benzamide

N-cyclooctyl-2-(naphthalen-1-ylamino)benzamide (PubChem CID 17385247) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is N-cyclooctyl-2-(naphthalen-1-ylamino)benzamide.

Molecular Properties

Compound NameN-cyclooctyl-2-(naphthalen-1-ylamino)benzamide
PubChem CID17385247
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC NameN-cyclooctyl-2-(naphthalen-1-ylamino)benzamide
SMILESO=C(NC1CCCCCCC1)c1ccccc1Nc1cccc2ccccc12
InChIInChI=1S/C25H28N2O/c28-25(26-20-13-4-2-1-3-5-14-20)22-16-8-9-17-24(22)27-23-18-10-12-19-11-6-7-15-21(19)23/h6-12,15-18,20,27H,1-5,13-14H2,(H,26,28)
InChIKeyHPTICAHOXFJVHA-UHFFFAOYSA-N
XLogP6.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-cyclohexyl-2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-(naphthalen-1-ylamino)benzamide?
The IUPAC name of N-cyclooctyl-2-(naphthalen-1-ylamino)benzamide (CID 17385247) is N-cyclooctyl-2-(naphthalen-1-ylamino)benzamide.
What is the SMILES notation for N-cyclooctyl-2-(naphthalen-1-ylamino)benzamide?
The canonical SMILES for N-cyclooctyl-2-(naphthalen-1-ylamino)benzamide is O=C(NC1CCCCCCC1)c1ccccc1Nc1cccc2ccccc12.
What is the InChIKey of N-cyclooctyl-2-(naphthalen-1-ylamino)benzamide?
The InChIKey is HPTICAHOXFJVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O/c28-25(26-20-13-4-2-1-3-5-14-20)22-16-8-9-17-24(22)27-23-18-10-12-19-11-6-7-15-21(19)23/h6-12,15-18,20,27H,1-5,13-14H2,(H,26,28).
What are the key properties of N-cyclooctyl-2-(naphthalen-1-ylamino)benzamide?
N-cyclooctyl-2-(naphthalen-1-ylamino)benzamide has a molecular weight of 372.51 g/mol, XLogP of 6.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-(naphthalen-1-ylamino)benzamide is sourced from PubChem (CID 17385247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).