3-cyclohexyl-N-[5-(3-cyclohexylpropanoylamino)naphthalen-1-yl]propanamide

C28H38N2O2 — CID 27126992

IUPAC3-cyclohexyl-N-[5-(3-cyclohexylpropanoylamino)naphthalen-1-yl]propanamide
SMILESO=C(CCC1CCCCC1)Nc1cccc2c(NC(=O)CCC3CCCCC3)cccc12
InChIInChI=1S/C28H38N2O2/c31-27(19-17-21-9-3-1-4-10-21)29-25-15-7-14-24-23(25)13-8-16-26(24)30-28(32)20-18-22-11-5-2-6-12-22/h7-8,13-16,21-22H,1-6,9-12,17-20H2,(H,29,31)(H,30,32)
InChIKeyJFJSSMKPHMRLHU-UHFFFAOYSA-N
MW434.62 g/mol
LogP7.44
Rot. Bonds8

About 3-cyclohexyl-N-[5-(3-cyclohexylpropanoylamino)naphthalen-1-yl]propanamide

3-cyclohexyl-N-[5-(3-cyclohexylpropanoylamino)naphthalen-1-yl]propanamide (PubChem CID 27126992) has the molecular formula C28H38N2O2 and a molecular weight of 434.62 g/mol. Its IUPAC name is 3-cyclohexyl-N-[5-(3-cyclohexylpropanoylamino)naphthalen-1-yl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[5-(3-cyclohexylpropanoylamino)naphthalen-1-yl]propanamide
PubChem CID27126992
Molecular FormulaC28H38N2O2
Molecular Weight434.62 g/mol
Exact Mass434.29
IUPAC Name3-cyclohexyl-N-[5-(3-cyclohexylpropanoylamino)naphthalen-1-yl]propanamide
SMILESO=C(CCC1CCCCC1)Nc1cccc2c(NC(=O)CCC3CCCCC3)cccc12
InChIInChI=1S/C28H38N2O2/c31-27(19-17-21-9-3-1-4-10-21)29-25-15-7-14-24-23(25)13-8-16-26(24)30-28(32)20-18-22-11-5-2-6-12-22/h7-8,13-16,21-22H,1-6,9-12,17-20H2,(H,29,31)(H,30,32)
InChIKeyJFJSSMKPHMRLHU-UHFFFAOYSA-N
XLogP7.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.62
LogP ≤ 57.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[5-(3-cyclohexylpropanoylamino)naphthalen-1-yl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[5-(3-cyclohexylpropanoylamino)naphthalen-1-yl]propanamide (CID 27126992) is 3-cyclohexyl-N-[5-(3-cyclohexylpropanoylamino)naphthalen-1-yl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[5-(3-cyclohexylpropanoylamino)naphthalen-1-yl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[5-(3-cyclohexylpropanoylamino)naphthalen-1-yl]propanamide is O=C(CCC1CCCCC1)Nc1cccc2c(NC(=O)CCC3CCCCC3)cccc12.
What is the InChIKey of 3-cyclohexyl-N-[5-(3-cyclohexylpropanoylamino)naphthalen-1-yl]propanamide?
The InChIKey is JFJSSMKPHMRLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2O2/c31-27(19-17-21-9-3-1-4-10-21)29-25-15-7-14-24-23(25)13-8-16-26(24)30-28(32)20-18-22-11-5-2-6-12-22/h7-8,13-16,21-22H,1-6,9-12,17-20H2,(H,29,31)(H,30,32).
What are the key properties of 3-cyclohexyl-N-[5-(3-cyclohexylpropanoylamino)naphthalen-1-yl]propanamide?
3-cyclohexyl-N-[5-(3-cyclohexylpropanoylamino)naphthalen-1-yl]propanamide has a molecular weight of 434.62 g/mol, XLogP of 7.44, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[5-(3-cyclohexylpropanoylamino)naphthalen-1-yl]propanamide is sourced from PubChem (CID 27126992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).