N-[4-(3-acetamidophenyl)phenyl]-4-(4-tert-butylphenyl)naphthalene-1-carboxamide

C35H32N2O2 — CID 11851846

IUPACN-[4-(3-acetamidophenyl)phenyl]-4-(4-tert-butylphenyl)naphthalene-1-carboxamide
SMILESCC(=O)Nc1cccc(-c2ccc(NC(=O)c3ccc(-c4ccc(C(C)(C)C)cc4)c4ccccc34)cc2)c1
InChIInChI=1S/C35H32N2O2/c1-23(38)36-29-9-7-8-26(22-29)24-14-18-28(19-15-24)37-34(39)33-21-20-30(31-10-5-6-11-32(31)33)25-12-16-27(17-13-25)35(2,3)4/h5-22H,1-4H3,(H,36,38)(H,37,39)
InChIKeyPYEJEXOSFFEDKT-UHFFFAOYSA-N
MW512.65 g/mol
LogP8.68
Rot. Bonds5

About N-[4-(3-acetamidophenyl)phenyl]-4-(4-tert-butylphenyl)naphthalene-1-carboxamide

N-[4-(3-acetamidophenyl)phenyl]-4-(4-tert-butylphenyl)naphthalene-1-carboxamide (PubChem CID 11851846) has the molecular formula C35H32N2O2 and a molecular weight of 512.65 g/mol. Its IUPAC name is N-[4-(3-acetamidophenyl)phenyl]-4-(4-tert-butylphenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[4-(3-acetamidophenyl)phenyl]-4-(4-tert-butylphenyl)naphthalene-1-carboxamide
PubChem CID11851846
Molecular FormulaC35H32N2O2
Molecular Weight512.65 g/mol
Exact Mass512.25
IUPAC NameN-[4-(3-acetamidophenyl)phenyl]-4-(4-tert-butylphenyl)naphthalene-1-carboxamide
SMILESCC(=O)Nc1cccc(-c2ccc(NC(=O)c3ccc(-c4ccc(C(C)(C)C)cc4)c4ccccc34)cc2)c1
InChIInChI=1S/C35H32N2O2/c1-23(38)36-29-9-7-8-26(22-29)24-14-18-28(19-15-24)37-34(39)33-21-20-30(31-10-5-6-11-32(31)33)25-12-16-27(17-13-25)35(2,3)4/h5-22H,1-4H3,(H,36,38)(H,37,39)
InChIKeyPYEJEXOSFFEDKT-UHFFFAOYSA-N
XLogP8.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.65
LogP ≤ 58.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis(4-tert-butylphenyl)naphthalene-1,4-dicarboxamide
CID 67816317
N-(4-tert-butylphenyl)-4-phenylbenzamide
CID 7914209
N-(3-acetamidophenyl)-4-tert-butylbenzamide
CID 722339
4-acetyl-N-phenylnaphthalene-1-carboxamide
CID 70204412
N-(4-acetamidophenyl)-3-phenylbenzamide
CID 117092873
4-tert-butyl-N-[4-[[1-(4-phenylphenyl)ethylideneamino]carbamoyl]phenyl]benzamide
CID 3370740
N-(4-phenylphenyl)acetamide
CID 19998
1-N,2-N,3-N-tris(4-tert-butylphenyl)benzene-1,2,3-tricarboxamide
CID 70017205
5-(3-acetamidophenyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzoic acid
CID 10275124
N-(3-acetylphenyl)-4-tert-butylbenzamide
CID 722882
4-(3-acetamidophenyl)benzoate
CID 86306420
4-acetamido-2-chloro-N-(3-quinazolin-4-ylphenyl)benzamide
CID 70933812

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-acetamidophenyl)phenyl]-4-(4-tert-butylphenyl)naphthalene-1-carboxamide?
The IUPAC name of N-[4-(3-acetamidophenyl)phenyl]-4-(4-tert-butylphenyl)naphthalene-1-carboxamide (CID 11851846) is N-[4-(3-acetamidophenyl)phenyl]-4-(4-tert-butylphenyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-[4-(3-acetamidophenyl)phenyl]-4-(4-tert-butylphenyl)naphthalene-1-carboxamide?
The canonical SMILES for N-[4-(3-acetamidophenyl)phenyl]-4-(4-tert-butylphenyl)naphthalene-1-carboxamide is CC(=O)Nc1cccc(-c2ccc(NC(=O)c3ccc(-c4ccc(C(C)(C)C)cc4)c4ccccc34)cc2)c1.
What is the InChIKey of N-[4-(3-acetamidophenyl)phenyl]-4-(4-tert-butylphenyl)naphthalene-1-carboxamide?
The InChIKey is PYEJEXOSFFEDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32N2O2/c1-23(38)36-29-9-7-8-26(22-29)24-14-18-28(19-15-24)37-34(39)33-21-20-30(31-10-5-6-11-32(31)33)25-12-16-27(17-13-25)35(2,3)4/h5-22H,1-4H3,(H,36,38)(H,37,39).
What are the key properties of N-[4-(3-acetamidophenyl)phenyl]-4-(4-tert-butylphenyl)naphthalene-1-carboxamide?
N-[4-(3-acetamidophenyl)phenyl]-4-(4-tert-butylphenyl)naphthalene-1-carboxamide has a molecular weight of 512.65 g/mol, XLogP of 8.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-acetamidophenyl)phenyl]-4-(4-tert-butylphenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 11851846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).