4-tert-butyl-N-(2,4,4-trimethylpentan-2-yl)benzamide

C19H31NO — CID 974128

IUPAC4-tert-butyl-N-(2,4,4-trimethylpentan-2-yl)benzamide
SMILESCC(C)(C)CC(C)(C)NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H31NO/c1-17(2,3)13-19(7,8)20-16(21)14-9-11-15(12-10-14)18(4,5)6/h9-12H,13H2,1-8H3,(H,20,21)
InChIKeyFCYMQHKHRZHXAD-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.93
Rot. Bonds3

About 4-tert-butyl-N-(2,4,4-trimethylpentan-2-yl)benzamide

4-tert-butyl-N-(2,4,4-trimethylpentan-2-yl)benzamide (PubChem CID 974128) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 4-tert-butyl-N-(2,4,4-trimethylpentan-2-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2,4,4-trimethylpentan-2-yl)benzamide
PubChem CID974128
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name4-tert-butyl-N-(2,4,4-trimethylpentan-2-yl)benzamide
SMILESCC(C)(C)CC(C)(C)NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H31NO/c1-17(2,3)13-19(7,8)20-16(21)14-9-11-15(12-10-14)18(4,5)6/h9-12H,13H2,1-8H3,(H,20,21)
InChIKeyFCYMQHKHRZHXAD-UHFFFAOYSA-N
XLogP4.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 115870121
4-(propanoylamino)-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 17257385
4-(dimethylsulfamoyl)-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 51188883
4-hydroxy-3-methyl-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 103955509
4-amino-3-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 62682424
4-bromo-3-chloro-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 81307457
N-(2,4,4-trimethylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614845
4-tert-butylbenzohydrazide;hydrochloride
CID 175372968
2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 54943331
5-iodo-N-(2,4,4-trimethylpentan-2-yl)thiophene-3-carboxamide
CID 79693864
CID 172553263
CID 172553263
2-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 1241760

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2,4,4-trimethylpentan-2-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(2,4,4-trimethylpentan-2-yl)benzamide (CID 974128) is 4-tert-butyl-N-(2,4,4-trimethylpentan-2-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(2,4,4-trimethylpentan-2-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(2,4,4-trimethylpentan-2-yl)benzamide is CC(C)(C)CC(C)(C)NC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-(2,4,4-trimethylpentan-2-yl)benzamide?
The InChIKey is FCYMQHKHRZHXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-17(2,3)13-19(7,8)20-16(21)14-9-11-15(12-10-14)18(4,5)6/h9-12H,13H2,1-8H3,(H,20,21).
What are the key properties of 4-tert-butyl-N-(2,4,4-trimethylpentan-2-yl)benzamide?
4-tert-butyl-N-(2,4,4-trimethylpentan-2-yl)benzamide has a molecular weight of 289.46 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2,4,4-trimethylpentan-2-yl)benzamide is sourced from PubChem (CID 974128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).