N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamoyl]-4-methylbenzamide

C26H27N3O3 — CID 163690008

IUPACN-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamoyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1
InChIInChI=1S/C26H27N3O3/c1-17-5-7-18(8-6-17)24(31)29-25(32)28-22-15-13-21(14-16-22)27-23(30)19-9-11-20(12-10-19)26(2,3)4/h5-16H,1-4H3,(H,27,30)(H2,28,29,31,32)
InChIKeyJSEFHUCUEUVHNY-UHFFFAOYSA-N
MW429.52 g/mol
LogP5.51
Rot. Bonds4

About N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamoyl]-4-methylbenzamide

N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamoyl]-4-methylbenzamide (PubChem CID 163690008) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamoyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamoyl]-4-methylbenzamide
PubChem CID163690008
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC NameN-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamoyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1
InChIInChI=1S/C26H27N3O3/c1-17-5-7-18(8-6-17)24(31)29-25(32)28-22-15-13-21(14-16-22)27-23(30)19-9-11-20(12-10-19)26(2,3)4/h5-16H,1-4H3,(H,27,30)(H2,28,29,31,32)
InChIKeyJSEFHUCUEUVHNY-UHFFFAOYSA-N
XLogP5.51
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 55.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamoyl]-4-methylbenzamide?
The IUPAC name of N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamoyl]-4-methylbenzamide (CID 163690008) is N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamoyl]-4-methylbenzamide.
What is the SMILES notation for N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamoyl]-4-methylbenzamide?
The canonical SMILES for N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamoyl]-4-methylbenzamide is Cc1ccc(C(=O)NC(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1.
What is the InChIKey of N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamoyl]-4-methylbenzamide?
The InChIKey is JSEFHUCUEUVHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-17-5-7-18(8-6-17)24(31)29-25(32)28-22-15-13-21(14-16-22)27-23(30)19-9-11-20(12-10-19)26(2,3)4/h5-16H,1-4H3,(H,27,30)(H2,28,29,31,32).
What are the key properties of N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamoyl]-4-methylbenzamide?
N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamoyl]-4-methylbenzamide has a molecular weight of 429.52 g/mol, XLogP of 5.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamoyl]-4-methylbenzamide is sourced from PubChem (CID 163690008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).