4-tert-butyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide

C19H31NO — CID 102914606

IUPAC4-tert-butyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
SMILESCC(C)C(CNC(=O)c1ccc(C(C)(C)C)cc1)C(C)C
InChIInChI=1S/C19H31NO/c1-13(2)17(14(3)4)12-20-18(21)15-8-10-16(11-9-15)19(5,6)7/h8-11,13-14,17H,12H2,1-7H3,(H,20,21)
InChIKeyMBCGMQPXCYYFJB-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.64
Rot. Bonds5

About 4-tert-butyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide

4-tert-butyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide (PubChem CID 102914606) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 4-tert-butyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
PubChem CID102914606
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name4-tert-butyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
SMILESCC(C)C(CNC(=O)c1ccc(C(C)(C)C)cc1)C(C)C
InChIInChI=1S/C19H31NO/c1-13(2)17(14(3)4)12-20-18(21)15-8-10-16(11-9-15)19(5,6)7/h8-11,13-14,17H,12H2,1-7H3,(H,20,21)
InChIKeyMBCGMQPXCYYFJB-UHFFFAOYSA-N
XLogP4.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(4-tert-butylbenzoyl)amino]-2-methylpropanoic acid
CID 55105588
4-tert-butyl-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103771049
4-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102907478
N-(2-bromo-2-cyclopropylethyl)-4-tert-butylbenzamide
CID 114315768
6-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102904942
4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide
CID 3415356
3-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102915094
4-tert-butyl-N-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide
CID 27743223
4-tert-butyl-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 45001444
6-methoxy-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102914743
4-tert-butyl-N-(2-methylpropylcarbamothioyl)benzamide
CID 18823141
N-(4-aminopentyl)-4-tert-butylbenzamide
CID 106122499

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide?
The IUPAC name of 4-tert-butyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide (CID 102914606) is 4-tert-butyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide is CC(C)C(CNC(=O)c1ccc(C(C)(C)C)cc1)C(C)C.
What is the InChIKey of 4-tert-butyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide?
The InChIKey is MBCGMQPXCYYFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-13(2)17(14(3)4)12-20-18(21)15-8-10-16(11-9-15)19(5,6)7/h8-11,13-14,17H,12H2,1-7H3,(H,20,21).
What are the key properties of 4-tert-butyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide?
4-tert-butyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide has a molecular weight of 289.46 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide is sourced from PubChem (CID 102914606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).