4-tert-butyl-2-methoxy-N,N-dimethylbenzamide

C14H21NO2 — CID 69030302

IUPAC4-tert-butyl-2-methoxy-N,N-dimethylbenzamide
SMILESCOc1cc(C(C)(C)C)ccc1C(=O)N(C)C
InChIInChI=1S/C14H21NO2/c1-14(2,3)10-7-8-11(12(9-10)17-6)13(16)15(4)5/h7-9H,1-6H3
InChIKeySEVYRXAIXZCJMF-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.69
Rot. Bonds2

About 4-tert-butyl-2-methoxy-N,N-dimethylbenzamide

4-tert-butyl-2-methoxy-N,N-dimethylbenzamide (PubChem CID 69030302) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-tert-butyl-2-methoxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-tert-butyl-2-methoxy-N,N-dimethylbenzamide
PubChem CID69030302
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-tert-butyl-2-methoxy-N,N-dimethylbenzamide
SMILESCOc1cc(C(C)(C)C)ccc1C(=O)N(C)C
InChIInChI=1S/C14H21NO2/c1-14(2,3)10-7-8-11(12(9-10)17-6)13(16)15(4)5/h7-9H,1-6H3
InChIKeySEVYRXAIXZCJMF-UHFFFAOYSA-N
XLogP2.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-2-chloro-N,N-dimethylbenzamide
CID 69030370
2-(5-tert-butyl-2-methoxyphenyl)-2-methylpropanoic acid
CID 82131491
5-tert-butyl-2-methoxy-N',N'-dimethylbenzohydrazide
CID 116847946
N-(5-tert-butyl-2-methoxyphenyl)-2-hydroxy-N-methylacetamide
CID 115139672
2-methoxy-4-(trifluoromethyl)benzoic acid
CID 3690873
2,4-dimethoxy-N,N-dimethyl-5-sulfamoylbenzamide
CID 65373113
N-(5-tert-butyl-2-methoxyphenyl)-N-methylcarbamoyl bromide
CID 115193389
methyl 2-methoxy-4-(trifluoromethyl)benzoate
CID 24728010
2-methoxy-4-(trifluoromethyl)benzamide
CID 3788214
5-fluoro-2-methoxy-N,N,4-trimethylbenzamide
CID 164883070
(2R)-2-(5-tert-butyl-2-methoxyanilino)-N,N-dimethylpropanamide
CID 9044303
1-(5-tert-butyl-2-methoxyphenyl)-1,3-dimethylurea
CID 115168970

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-methoxy-N,N-dimethylbenzamide?
The IUPAC name of 4-tert-butyl-2-methoxy-N,N-dimethylbenzamide (CID 69030302) is 4-tert-butyl-2-methoxy-N,N-dimethylbenzamide.
What is the SMILES notation for 4-tert-butyl-2-methoxy-N,N-dimethylbenzamide?
The canonical SMILES for 4-tert-butyl-2-methoxy-N,N-dimethylbenzamide is COc1cc(C(C)(C)C)ccc1C(=O)N(C)C.
What is the InChIKey of 4-tert-butyl-2-methoxy-N,N-dimethylbenzamide?
The InChIKey is SEVYRXAIXZCJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-14(2,3)10-7-8-11(12(9-10)17-6)13(16)15(4)5/h7-9H,1-6H3.
What are the key properties of 4-tert-butyl-2-methoxy-N,N-dimethylbenzamide?
4-tert-butyl-2-methoxy-N,N-dimethylbenzamide has a molecular weight of 235.33 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-methoxy-N,N-dimethylbenzamide is sourced from PubChem (CID 69030302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).