1-N,4-N-bis(4-tert-butylphenyl)naphthalene-1,4-dicarboxamide

C32H34N2O2 — CID 67816317

IUPAC1-N,4-N-bis(4-tert-butylphenyl)naphthalene-1,4-dicarboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(C)(C)C)cc3)c3ccccc23)cc1
InChIInChI=1S/C32H34N2O2/c1-31(2,3)21-11-15-23(16-12-21)33-29(35)27-19-20-28(26-10-8-7-9-25(26)27)30(36)34-24-17-13-22(14-18-24)32(4,5)6/h7-20H,1-6H3,(H,33,35)(H,34,36)
InChIKeyVRXLKQIIQATZLD-UHFFFAOYSA-N
MW478.64 g/mol
LogP7.94
Rot. Bonds4

About 1-N,4-N-bis(4-tert-butylphenyl)naphthalene-1,4-dicarboxamide

1-N,4-N-bis(4-tert-butylphenyl)naphthalene-1,4-dicarboxamide (PubChem CID 67816317) has the molecular formula C32H34N2O2 and a molecular weight of 478.64 g/mol. Its IUPAC name is 1-N,4-N-bis(4-tert-butylphenyl)naphthalene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis(4-tert-butylphenyl)naphthalene-1,4-dicarboxamide
PubChem CID67816317
Molecular FormulaC32H34N2O2
Molecular Weight478.64 g/mol
Exact Mass478.26
IUPAC Name1-N,4-N-bis(4-tert-butylphenyl)naphthalene-1,4-dicarboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(C)(C)C)cc3)c3ccccc23)cc1
InChIInChI=1S/C32H34N2O2/c1-31(2,3)21-11-15-23(16-12-21)33-29(35)27-19-20-28(26-10-8-7-9-25(26)27)30(36)34-24-17-13-22(14-18-24)32(4,5)6/h7-20H,1-6H3,(H,33,35)(H,34,36)
InChIKeyVRXLKQIIQATZLD-UHFFFAOYSA-N
XLogP7.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.64
LogP ≤ 57.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(3-acetamidophenyl)phenyl]-4-(4-tert-butylphenyl)naphthalene-1-carboxamide
CID 11851846
1-N,2-N,3-N-tris(4-tert-butylphenyl)benzene-1,2,3-tricarboxamide
CID 70017205
N-(4-tert-butylphenyl)-2-(methylamino)benzamide
CID 60706403
4-acetyl-N-phenylnaphthalene-1-carboxamide
CID 70204412
N-(4-tert-butylphenyl)-2,4-dimethylbenzamide
CID 953234
N-(4-tert-butylphenyl)-4-phenylbenzamide
CID 7914209
1-N,4-N-bis(4-bromophenyl)naphthalene-1,4-dicarboxamide;bis(N,N-dimethylacetamide)
CID 139078080
N-(4-tert-butylphenyl)-1-oxo-2H-isoquinoline-3-carboxamide
CID 40671457
N-(4-tert-butylphenyl)-5-methyl-2-propan-2-ylbenzamide
CID 70682694
N-(4-tert-butylphenyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 23151044
4-amino-N-(4-tert-butylphenyl)-2-chlorobenzamide
CID 28748853
N'-(4-tert-butylphenyl)-N-phenylpropanediamide
CID 108952831

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(4-tert-butylphenyl)naphthalene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis(4-tert-butylphenyl)naphthalene-1,4-dicarboxamide (CID 67816317) is 1-N,4-N-bis(4-tert-butylphenyl)naphthalene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis(4-tert-butylphenyl)naphthalene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis(4-tert-butylphenyl)naphthalene-1,4-dicarboxamide is CC(C)(C)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(C)(C)C)cc3)c3ccccc23)cc1.
What is the InChIKey of 1-N,4-N-bis(4-tert-butylphenyl)naphthalene-1,4-dicarboxamide?
The InChIKey is VRXLKQIIQATZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2O2/c1-31(2,3)21-11-15-23(16-12-21)33-29(35)27-19-20-28(26-10-8-7-9-25(26)27)30(36)34-24-17-13-22(14-18-24)32(4,5)6/h7-20H,1-6H3,(H,33,35)(H,34,36).
What are the key properties of 1-N,4-N-bis(4-tert-butylphenyl)naphthalene-1,4-dicarboxamide?
1-N,4-N-bis(4-tert-butylphenyl)naphthalene-1,4-dicarboxamide has a molecular weight of 478.64 g/mol, XLogP of 7.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(4-tert-butylphenyl)naphthalene-1,4-dicarboxamide is sourced from PubChem (CID 67816317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).