4-tert-butyl-N-(4-carbamoylphenyl)benzamide

C18H20N2O2 — CID 3252757

IUPAC4-tert-butyl-N-(4-carbamoylphenyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C18H20N2O2/c1-18(2,3)14-8-4-13(5-9-14)17(22)20-15-10-6-12(7-11-15)16(19)21/h4-11H,1-3H3,(H2,19,21)(H,20,22)
InChIKeyDUGUVDYPKUKWIC-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.34
Rot. Bonds3

About 4-tert-butyl-N-(4-carbamoylphenyl)benzamide

4-tert-butyl-N-(4-carbamoylphenyl)benzamide (PubChem CID 3252757) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-carbamoylphenyl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(4-carbamoylphenyl)benzamide
PubChem CID3252757
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name4-tert-butyl-N-(4-carbamoylphenyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C18H20N2O2/c1-18(2,3)14-8-4-13(5-9-14)17(22)20-15-10-6-12(7-11-15)16(19)21/h4-11H,1-3H3,(H2,19,21)(H,20,22)
InChIKeyDUGUVDYPKUKWIC-UHFFFAOYSA-N
XLogP3.34
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 1272826
4-N-(4-acetamidophenyl)benzene-1,4-dicarboxamide
CID 27648779
4-tert-butyl-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide
CID 2908825
4-[[4-[(2-methylpropan-2-yl)oxy]benzoyl]amino]benzamide
CID 110761803
methyl 4-[(4-carbamoylbenzoyl)amino]benzoate
CID 30845691
methyl 4-[(4-carbamoylphenyl)carbamoyl]benzoate
CID 5085217
N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]butanediamide
CID 17235325
N-(4-tert-butylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 39088297
N-(4-tert-butylphenyl)-4-phenylbenzamide
CID 7914209
N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamoyl]-4-methylbenzamide
CID 163690008
N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]pentanediamide
CID 17235324
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-carbamoylphenyl)benzamide?
The IUPAC name of 4-tert-butyl-N-(4-carbamoylphenyl)benzamide (CID 3252757) is 4-tert-butyl-N-(4-carbamoylphenyl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(4-carbamoylphenyl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(4-carbamoylphenyl)benzamide is CC(C)(C)c1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-(4-carbamoylphenyl)benzamide?
The InChIKey is DUGUVDYPKUKWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-18(2,3)14-8-4-13(5-9-14)17(22)20-15-10-6-12(7-11-15)16(19)21/h4-11H,1-3H3,(H2,19,21)(H,20,22).
What are the key properties of 4-tert-butyl-N-(4-carbamoylphenyl)benzamide?
4-tert-butyl-N-(4-carbamoylphenyl)benzamide has a molecular weight of 296.37 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-carbamoylphenyl)benzamide is sourced from PubChem (CID 3252757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).