2,2-dibutyl-N,N'-dinaphthalen-1-ylpropanediamide

C31H34N2O2 — CID 14812883

IUPAC2,2-dibutyl-N,N'-dinaphthalen-1-ylpropanediamide
SMILESCCCCC(CCCC)(C(=O)Nc1cccc2ccccc12)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C31H34N2O2/c1-3-5-21-31(22-6-4-2,29(34)32-27-19-11-15-23-13-7-9-17-25(23)27)30(35)33-28-20-12-16-24-14-8-10-18-26(24)28/h7-20H,3-6,21-22H2,1-2H3,(H,32,34)(H,33,35)
InChIKeyFGVMHQVBPZIJDE-UHFFFAOYSA-N
MW466.63 g/mol
LogP7.94
Rot. Bonds10

About 2,2-dibutyl-N,N'-dinaphthalen-1-ylpropanediamide

2,2-dibutyl-N,N'-dinaphthalen-1-ylpropanediamide (PubChem CID 14812883) has the molecular formula C31H34N2O2 and a molecular weight of 466.63 g/mol. Its IUPAC name is 2,2-dibutyl-N,N'-dinaphthalen-1-ylpropanediamide.

Molecular Properties

Compound Name2,2-dibutyl-N,N'-dinaphthalen-1-ylpropanediamide
PubChem CID14812883
Molecular FormulaC31H34N2O2
Molecular Weight466.63 g/mol
Exact Mass466.26
IUPAC Name2,2-dibutyl-N,N'-dinaphthalen-1-ylpropanediamide
SMILESCCCCC(CCCC)(C(=O)Nc1cccc2ccccc12)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C31H34N2O2/c1-3-5-21-31(22-6-4-2,29(34)32-27-19-11-15-23-13-7-9-17-25(23)27)30(35)33-28-20-12-16-24-14-8-10-18-26(24)28/h7-20H,3-6,21-22H2,1-2H3,(H,32,34)(H,33,35)
InChIKeyFGVMHQVBPZIJDE-UHFFFAOYSA-N
XLogP7.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.63
LogP ≤ 57.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-N-naphthalen-1-ylbutanamide
CID 59672446
3-amino-2,2,3-trimethyl-N-naphthalen-1-ylbutanamide
CID 65264771
N-naphthalen-1-yldodecanamide
CID 588517
2,2-dibutyl-N-pyridin-2-yl-N'-quinolin-8-ylpropanediamide
CID 10093491
2-ethyl-N-naphthalen-1-ylhexanamide
CID 3580350
2-butyl-2-ethyl-N,N'-diphenylpropanediamide
CID 170847638
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
N-(naphthalen-1-ylcarbamothioyl)undecanamide
CID 166518646
N-(4-butylphenyl)-N'-naphthalen-1-yloxamide
CID 108502463
2-methyl-N-naphthalen-1-ylpentanamide
CID 112762783

Frequently Asked Questions

What is the IUPAC name of 2,2-dibutyl-N,N'-dinaphthalen-1-ylpropanediamide?
The IUPAC name of 2,2-dibutyl-N,N'-dinaphthalen-1-ylpropanediamide (CID 14812883) is 2,2-dibutyl-N,N'-dinaphthalen-1-ylpropanediamide.
What is the SMILES notation for 2,2-dibutyl-N,N'-dinaphthalen-1-ylpropanediamide?
The canonical SMILES for 2,2-dibutyl-N,N'-dinaphthalen-1-ylpropanediamide is CCCCC(CCCC)(C(=O)Nc1cccc2ccccc12)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of 2,2-dibutyl-N,N'-dinaphthalen-1-ylpropanediamide?
The InChIKey is FGVMHQVBPZIJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2O2/c1-3-5-21-31(22-6-4-2,29(34)32-27-19-11-15-23-13-7-9-17-25(23)27)30(35)33-28-20-12-16-24-14-8-10-18-26(24)28/h7-20H,3-6,21-22H2,1-2H3,(H,32,34)(H,33,35).
What are the key properties of 2,2-dibutyl-N,N'-dinaphthalen-1-ylpropanediamide?
2,2-dibutyl-N,N'-dinaphthalen-1-ylpropanediamide has a molecular weight of 466.63 g/mol, XLogP of 7.94, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibutyl-N,N'-dinaphthalen-1-ylpropanediamide is sourced from PubChem (CID 14812883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).