N-tert-butyl-2-methoxy-4-propan-2-ylbenzamide

C15H23NO2 — CID 110762942

IUPACN-tert-butyl-2-methoxy-4-propan-2-ylbenzamide
SMILESCOc1cc(C(C)C)ccc1C(=O)NC(C)(C)C
InChIInChI=1S/C15H23NO2/c1-10(2)11-7-8-12(13(9-11)18-6)14(17)16-15(3,4)5/h7-10H,1-6H3,(H,16,17)
InChIKeyIGUDMBZTBMGENH-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.35
Rot. Bonds3

About N-tert-butyl-2-methoxy-4-propan-2-ylbenzamide

N-tert-butyl-2-methoxy-4-propan-2-ylbenzamide (PubChem CID 110762942) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-tert-butyl-2-methoxy-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-tert-butyl-2-methoxy-4-propan-2-ylbenzamide
PubChem CID110762942
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-tert-butyl-2-methoxy-4-propan-2-ylbenzamide
SMILESCOc1cc(C(C)C)ccc1C(=O)NC(C)(C)C
InChIInChI=1S/C15H23NO2/c1-10(2)11-7-8-12(13(9-11)18-6)14(17)16-15(3,4)5/h7-10H,1-6H3,(H,16,17)
InChIKeyIGUDMBZTBMGENH-UHFFFAOYSA-N
XLogP3.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N-(2-methylpropyl)-4-propan-2-ylbenzamide
CID 110762907
2-amino-1-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropan-1-one
CID 116915369
N-tert-butyl-2-methoxy-4-trimethylsilylbenzamide
CID 155681345
N-(3-hydroxypropyl)-2-methoxy-4-propan-2-ylbenzamide
CID 98016200
N-(3-amino-2-methylpropyl)-2-methoxy-4-propan-2-ylbenzamide
CID 115271618
1-(2-methoxy-4-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanone
CID 98784318
ethyl 2-methoxy-4-propan-2-ylbenzoate
CID 116964804
N-(3-hydroxy-2-methylbutan-2-yl)-2,4-dimethoxybenzamide
CID 115884461
2-methoxy-N-(2-methyl-4-pyridinyl)-4-propan-2-ylbenzamide
CID 110762949
1-N,2-N,4-N,5-N-tetratert-butylbenzene-1,2,4,5-tetracarboxamide
CID 141420303
2-amino-3-(2-methoxy-4-propan-2-ylphenyl)-3-oxopropanoic acid
CID 116920512
methyl 4-butan-2-yl-2-methoxybenzoate
CID 123894176

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methoxy-4-propan-2-ylbenzamide?
The IUPAC name of N-tert-butyl-2-methoxy-4-propan-2-ylbenzamide (CID 110762942) is N-tert-butyl-2-methoxy-4-propan-2-ylbenzamide.
What is the SMILES notation for N-tert-butyl-2-methoxy-4-propan-2-ylbenzamide?
The canonical SMILES for N-tert-butyl-2-methoxy-4-propan-2-ylbenzamide is COc1cc(C(C)C)ccc1C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methoxy-4-propan-2-ylbenzamide?
The InChIKey is IGUDMBZTBMGENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10(2)11-7-8-12(13(9-11)18-6)14(17)16-15(3,4)5/h7-10H,1-6H3,(H,16,17).
What are the key properties of N-tert-butyl-2-methoxy-4-propan-2-ylbenzamide?
N-tert-butyl-2-methoxy-4-propan-2-ylbenzamide has a molecular weight of 249.35 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methoxy-4-propan-2-ylbenzamide is sourced from PubChem (CID 110762942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).