4-tert-butyl-N-[4-[[1-(4-phenylphenyl)ethylideneamino]carbamoyl]phenyl]benzamide

C32H31N3O2 — CID 3370740

IUPAC4-tert-butyl-N-[4-[[1-(4-phenylphenyl)ethylideneamino]carbamoyl]phenyl]benzamide
SMILESCC(=NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C32H31N3O2/c1-22(23-10-12-25(13-11-23)24-8-6-5-7-9-24)34-35-31(37)27-16-20-29(21-17-27)33-30(36)26-14-18-28(19-15-26)32(2,3)4/h5-21H,1-4H3,(H,33,36)(H,35,37)
InChIKeyUUKCOZNTYWPELS-UHFFFAOYSA-N
MW489.62 g/mol
LogP7.06
Rot. Bonds6

About 4-tert-butyl-N-[4-[[1-(4-phenylphenyl)ethylideneamino]carbamoyl]phenyl]benzamide

4-tert-butyl-N-[4-[[1-(4-phenylphenyl)ethylideneamino]carbamoyl]phenyl]benzamide (PubChem CID 3370740) has the molecular formula C32H31N3O2 and a molecular weight of 489.62 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-[[1-(4-phenylphenyl)ethylideneamino]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-[[1-(4-phenylphenyl)ethylideneamino]carbamoyl]phenyl]benzamide
PubChem CID3370740
Molecular FormulaC32H31N3O2
Molecular Weight489.62 g/mol
Exact Mass489.24
IUPAC Name4-tert-butyl-N-[4-[[1-(4-phenylphenyl)ethylideneamino]carbamoyl]phenyl]benzamide
SMILESCC(=NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C32H31N3O2/c1-22(23-10-12-25(13-11-23)24-8-6-5-7-9-24)34-35-31(37)27-16-20-29(21-17-27)33-30(36)26-14-18-28(19-15-26)32(2,3)4/h5-21H,1-4H3,(H,33,36)(H,35,37)
InChIKeyUUKCOZNTYWPELS-UHFFFAOYSA-N
XLogP7.06
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.62
LogP ≤ 57.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-tert-butylphenyl)-4-phenylbenzamide
CID 7914209
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-phenylbenzamide
CID 4099820
4-benzamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide
CID 6272222
4-tert-butyl-N-[1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 4061369
4-benzamido-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 3289478
N-[(Z)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 5412073
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-4-fluorobenzamide
CID 6183873
4-benzamido-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 3289474
3,5-ditert-butyl-4-hydroxy-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide
CID 6382208
1-phenyl-3-[(E)-1-(4-phenylphenyl)ethylideneamino]urea
CID 5375904
4-amino-N-[1-(4-tert-butylphenyl)ethylideneamino]benzamide
CID 3435127
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 5496134

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-[[1-(4-phenylphenyl)ethylideneamino]carbamoyl]phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[4-[[1-(4-phenylphenyl)ethylideneamino]carbamoyl]phenyl]benzamide (CID 3370740) is 4-tert-butyl-N-[4-[[1-(4-phenylphenyl)ethylideneamino]carbamoyl]phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[4-[[1-(4-phenylphenyl)ethylideneamino]carbamoyl]phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[4-[[1-(4-phenylphenyl)ethylideneamino]carbamoyl]phenyl]benzamide is CC(=NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[4-[[1-(4-phenylphenyl)ethylideneamino]carbamoyl]phenyl]benzamide?
The InChIKey is UUKCOZNTYWPELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N3O2/c1-22(23-10-12-25(13-11-23)24-8-6-5-7-9-24)34-35-31(37)27-16-20-29(21-17-27)33-30(36)26-14-18-28(19-15-26)32(2,3)4/h5-21H,1-4H3,(H,33,36)(H,35,37).
What are the key properties of 4-tert-butyl-N-[4-[[1-(4-phenylphenyl)ethylideneamino]carbamoyl]phenyl]benzamide?
4-tert-butyl-N-[4-[[1-(4-phenylphenyl)ethylideneamino]carbamoyl]phenyl]benzamide has a molecular weight of 489.62 g/mol, XLogP of 7.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-[[1-(4-phenylphenyl)ethylideneamino]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 3370740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).