N-tert-butyl-4-methoxy-2,5-dimethylbenzamide

C14H21NO2 — CID 110761615

IUPACN-tert-butyl-4-methoxy-2,5-dimethylbenzamide
SMILESCOc1cc(C)c(C(=O)NC(C)(C)C)cc1C
InChIInChI=1S/C14H21NO2/c1-9-8-12(17-6)10(2)7-11(9)13(16)15-14(3,4)5/h7-8H,1-6H3,(H,15,16)
InChIKeyVCVAAKKWUMAKQE-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.84
Rot. Bonds2

About N-tert-butyl-4-methoxy-2,5-dimethylbenzamide

N-tert-butyl-4-methoxy-2,5-dimethylbenzamide (PubChem CID 110761615) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-tert-butyl-4-methoxy-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-tert-butyl-4-methoxy-2,5-dimethylbenzamide
PubChem CID110761615
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-tert-butyl-4-methoxy-2,5-dimethylbenzamide
SMILESCOc1cc(C)c(C(=O)NC(C)(C)C)cc1C
InChIInChI=1S/C14H21NO2/c1-9-8-12(17-6)10(2)7-11(9)13(16)15-14(3,4)5/h7-8H,1-6H3,(H,15,16)
InChIKeyVCVAAKKWUMAKQE-UHFFFAOYSA-N
XLogP2.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-(4-methoxy-2,5-dimethylphenyl)-2-oxoacetamide
CID 82122182
4-methoxy-2,5-dimethyl-N-propan-2-ylbenzamide
CID 110761568
ethane;4-methoxy-2,5-dimethylbenzoic acid
CID 145075043
N-[2-(tert-butylcarbamoyl)phenyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100715391
1-N,2-N,4-N,5-N-tetratert-butylbenzene-1,2,4,5-tetracarboxamide
CID 141420303
N-tert-butyl-4-chloro-2-methylbenzamide
CID 59804554
methyl 2-(4-methoxy-2,5-dimethylphenyl)prop-2-enoate
CID 116843208
N-[2-(tert-butylcarbamoyl)phenyl]-2,4,5-trimethylbenzamide
CID 100710384
2,2,3,3,3-pentafluoro-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one
CID 114038350
4,4,4-trifluoro-1-(4-methoxy-2,5-dimethylphenyl)butane-1,3-dione
CID 98579550
N-(1-amino-2-cyclopropylpropan-2-yl)-4,5-dimethoxy-2-methylbenzamide
CID 119575042
4-methoxy-N-[(2-methoxyphenyl)methyl]-2,5-dimethylbenzamide
CID 110761590

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-methoxy-2,5-dimethylbenzamide?
The IUPAC name of N-tert-butyl-4-methoxy-2,5-dimethylbenzamide (CID 110761615) is N-tert-butyl-4-methoxy-2,5-dimethylbenzamide.
What is the SMILES notation for N-tert-butyl-4-methoxy-2,5-dimethylbenzamide?
The canonical SMILES for N-tert-butyl-4-methoxy-2,5-dimethylbenzamide is COc1cc(C)c(C(=O)NC(C)(C)C)cc1C.
What is the InChIKey of N-tert-butyl-4-methoxy-2,5-dimethylbenzamide?
The InChIKey is VCVAAKKWUMAKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9-8-12(17-6)10(2)7-11(9)13(16)15-14(3,4)5/h7-8H,1-6H3,(H,15,16).
What are the key properties of N-tert-butyl-4-methoxy-2,5-dimethylbenzamide?
N-tert-butyl-4-methoxy-2,5-dimethylbenzamide has a molecular weight of 235.33 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-methoxy-2,5-dimethylbenzamide is sourced from PubChem (CID 110761615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).