N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide

C26H28N2O4 — CID 15994045

IUPACN-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1OC
InChIInChI=1S/C26H28N2O4/c1-26(2,3)19-9-6-17(7-10-19)24(29)27-20-11-13-21(14-12-20)28-25(30)18-8-15-22(31-4)23(16-18)32-5/h6-16H,1-5H3,(H,27,29)(H,28,30)
InChIKeyPYOQCNKQFIKZLQ-UHFFFAOYSA-N
MW432.52 g/mol
LogP5.51
Rot. Bonds6

About N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide

N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide (PubChem CID 15994045) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
PubChem CID15994045
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC NameN-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1OC
InChIInChI=1S/C26H28N2O4/c1-26(2,3)19-9-6-17(7-10-19)24(29)27-20-11-13-21(14-12-20)28-25(30)18-8-15-22(31-4)23(16-18)32-5/h6-16H,1-5H3,(H,27,29)(H,28,30)
InChIKeyPYOQCNKQFIKZLQ-UHFFFAOYSA-N
XLogP5.51
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,3-N-bis(4-tert-butylphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 71761515
3,4-dimethoxy-N-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]benzamide
CID 67546361
N-(4-bromophenyl)-3,4-dimethoxybenzamide
CID 855033
N-(3-amino-4-methoxyphenyl)-4-tert-butylbenzamide
CID 18524942
N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-3,4-dimethoxybenzamide
CID 23099206
1-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)urea
CID 108866246
N-(4-formylphenyl)-3,4-dimethoxybenzamide
CID 106912264
4-tert-butyl-N-[(3,4-dimethoxyphenyl)carbamothioyl]benzamide
CID 54781593
3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzamide
CID 112980100
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
N-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide
CID 16793219
N-(4-tert-butylphenyl)-3-chloro-4,5-dimethoxybenzamide
CID 7913840

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide (CID 15994045) is N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1OC.
What is the InChIKey of N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide?
The InChIKey is PYOQCNKQFIKZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-26(2,3)19-9-6-17(7-10-19)24(29)27-20-11-13-21(14-12-20)28-25(30)18-8-15-22(31-4)23(16-18)32-5/h6-16H,1-5H3,(H,27,29)(H,28,30).
What are the key properties of N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide?
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide has a molecular weight of 432.52 g/mol, XLogP of 5.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 15994045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).