N-(4-tert-butylphenyl)-4-(2-methylpropanoylamino)benzamide

C21H26N2O2 — CID 39088297

IUPACN-(4-tert-butylphenyl)-4-(2-methylpropanoylamino)benzamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O2/c1-14(2)19(24)22-17-10-6-15(7-11-17)20(25)23-18-12-8-16(9-13-18)21(3,4)5/h6-14H,1-5H3,(H,22,24)(H,23,25)
InChIKeyCCODEILIODLRGP-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.83
Rot. Bonds4

About N-(4-tert-butylphenyl)-4-(2-methylpropanoylamino)benzamide

N-(4-tert-butylphenyl)-4-(2-methylpropanoylamino)benzamide (PubChem CID 39088297) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-(2-methylpropanoylamino)benzamide
PubChem CID39088297
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-(4-tert-butylphenyl)-4-(2-methylpropanoylamino)benzamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O2/c1-14(2)19(24)22-17-10-6-15(7-11-17)20(25)23-18-12-8-16(9-13-18)21(3,4)5/h6-14H,1-5H3,(H,22,24)(H,23,25)
InChIKeyCCODEILIODLRGP-UHFFFAOYSA-N
XLogP4.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[[(4-tert-butylbenzoyl)amino]carbamoyl]phenyl]-2-methylpropanamide
CID 4925295
1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide
CID 17188207
4-[[4-(2-methylpropanoylamino)benzoyl]amino]benzoic acid
CID 17172328
4-tert-butyl-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide
CID 1017523
4-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 42120723
N-[4-(2-methylpropanoylamino)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 55824637
N-(3,5-dimethylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 51179788
N-(4-cyanophenyl)-4-(2-methylpropanoylamino)benzamide
CID 977438
4-tert-butyl-N-(4-carbamoylphenyl)benzamide
CID 3252757
N-[4-(hydrazinecarbonyl)phenyl]-2-methylpropanamide
CID 952336
N-[4-[2-(4-tert-butylphenoxy)ethoxy]phenyl]-2-methylpropanamide
CID 163343246
N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]butanediamide
CID 17235325

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-(2-methylpropanoylamino)benzamide?
The IUPAC name of N-(4-tert-butylphenyl)-4-(2-methylpropanoylamino)benzamide (CID 39088297) is N-(4-tert-butylphenyl)-4-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-(2-methylpropanoylamino)benzamide?
The canonical SMILES for N-(4-tert-butylphenyl)-4-(2-methylpropanoylamino)benzamide is CC(C)C(=O)Nc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-(2-methylpropanoylamino)benzamide?
The InChIKey is CCODEILIODLRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-14(2)19(24)22-17-10-6-15(7-11-17)20(25)23-18-12-8-16(9-13-18)21(3,4)5/h6-14H,1-5H3,(H,22,24)(H,23,25).
What are the key properties of N-(4-tert-butylphenyl)-4-(2-methylpropanoylamino)benzamide?
N-(4-tert-butylphenyl)-4-(2-methylpropanoylamino)benzamide has a molecular weight of 338.45 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 39088297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).