N-tert-butyl-4-(3-methylphenyl)benzamide

C18H21NO — CID 59900664

IUPACN-tert-butyl-4-(3-methylphenyl)benzamide
SMILESCc1cccc(-c2ccc(C(=O)NC(C)(C)C)cc2)c1
InChIInChI=1S/C18H21NO/c1-13-6-5-7-16(12-13)14-8-10-15(11-9-14)17(20)19-18(2,3)4/h5-12H,1-4H3,(H,19,20)
InChIKeyCHDVTFXHYRWLNJ-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.19
Rot. Bonds2

About N-tert-butyl-4-(3-methylphenyl)benzamide

N-tert-butyl-4-(3-methylphenyl)benzamide (PubChem CID 59900664) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-tert-butyl-4-(3-methylphenyl)benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-(3-methylphenyl)benzamide
PubChem CID59900664
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-tert-butyl-4-(3-methylphenyl)benzamide
SMILESCc1cccc(-c2ccc(C(=O)NC(C)(C)C)cc2)c1
InChIInChI=1S/C18H21NO/c1-13-6-5-7-16(12-13)14-8-10-15(11-9-14)17(20)19-18(2,3)4/h5-12H,1-4H3,(H,19,20)
InChIKeyCHDVTFXHYRWLNJ-UHFFFAOYSA-N
XLogP4.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-N'-(4-phenylbenzoyl)benzohydrazide
CID 828309
3-N-tert-butyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109055991
N-tert-butyl-4-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109060652
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 28639773
4-N-tert-butyl-1-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide
CID 48845732
N-tert-butyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578594
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
methane;1-methyl-3-(4-methylphenyl)benzene
CID 158328523
1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892418
N-tert-butyl-4-(2-chlorophenyl)benzamide
CID 174761661
N-tert-butyl-4-(125I)iodo(125I)benzamide
CID 177457231
N-tert-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810230

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(3-methylphenyl)benzamide?
The IUPAC name of N-tert-butyl-4-(3-methylphenyl)benzamide (CID 59900664) is N-tert-butyl-4-(3-methylphenyl)benzamide.
What is the SMILES notation for N-tert-butyl-4-(3-methylphenyl)benzamide?
The canonical SMILES for N-tert-butyl-4-(3-methylphenyl)benzamide is Cc1cccc(-c2ccc(C(=O)NC(C)(C)C)cc2)c1.
What is the InChIKey of N-tert-butyl-4-(3-methylphenyl)benzamide?
The InChIKey is CHDVTFXHYRWLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13-6-5-7-16(12-13)14-8-10-15(11-9-14)17(20)19-18(2,3)4/h5-12H,1-4H3,(H,19,20).
What are the key properties of N-tert-butyl-4-(3-methylphenyl)benzamide?
N-tert-butyl-4-(3-methylphenyl)benzamide has a molecular weight of 267.37 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(3-methylphenyl)benzamide is sourced from PubChem (CID 59900664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).