3-amino-4-(3,3-dimethylbutoxy)-N-methylbenzamide

C14H22N2O2 — CID 82999878

IUPAC3-amino-4-(3,3-dimethylbutoxy)-N-methylbenzamide
SMILESCNC(=O)c1ccc(OCCC(C)(C)C)c(N)c1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)7-8-18-12-6-5-10(9-11(12)15)13(17)16-4/h5-6,9H,7-8,15H2,1-4H3,(H,16,17)
InChIKeyUPSWWQLBUAXEFN-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.44
Rot. Bonds4

About 3-amino-4-(3,3-dimethylbutoxy)-N-methylbenzamide

3-amino-4-(3,3-dimethylbutoxy)-N-methylbenzamide (PubChem CID 82999878) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-amino-4-(3,3-dimethylbutoxy)-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4-(3,3-dimethylbutoxy)-N-methylbenzamide
PubChem CID82999878
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-amino-4-(3,3-dimethylbutoxy)-N-methylbenzamide
SMILESCNC(=O)c1ccc(OCCC(C)(C)C)c(N)c1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)7-8-18-12-6-5-10(9-11(12)15)13(17)16-4/h5-6,9H,7-8,15H2,1-4H3,(H,16,17)
InChIKeyUPSWWQLBUAXEFN-UHFFFAOYSA-N
XLogP2.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-(3,3-dimethylbutoxy)benzoic acid
CID 54957786
3-amino-4-[2-(dimethylamino)ethoxy]-N-methylbenzamide
CID 79021333
3-amino-N-methyl-4-[2-(3-methylphenoxy)ethoxy]benzamide
CID 82070425
3-amino-N-methyl-4-(trifluoromethoxy)benzamide
CID 116628466
3-amino-4-[(4-fluorophenyl)methoxy]-N-methylbenzamide
CID 82070222
3-amino-N-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzamide
CID 82999437
4-amino-3-butoxy-N-methylbenzamide
CID 63357456
3-amino-4-(4-ethoxyphenoxy)-N-methylbenzamide
CID 82992417
3-amino-4-[(2-bromophenyl)methoxy]-N-methylbenzamide
CID 82999807
4-amino-3-ethoxy-N-methylbenzamide
CID 63357452
3-amino-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoic acid
CID 104564096
3-amino-4-(3,5-dimethylphenoxy)-N-methylbenzamide
CID 83000237

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3,3-dimethylbutoxy)-N-methylbenzamide?
The IUPAC name of 3-amino-4-(3,3-dimethylbutoxy)-N-methylbenzamide (CID 82999878) is 3-amino-4-(3,3-dimethylbutoxy)-N-methylbenzamide.
What is the SMILES notation for 3-amino-4-(3,3-dimethylbutoxy)-N-methylbenzamide?
The canonical SMILES for 3-amino-4-(3,3-dimethylbutoxy)-N-methylbenzamide is CNC(=O)c1ccc(OCCC(C)(C)C)c(N)c1.
What is the InChIKey of 3-amino-4-(3,3-dimethylbutoxy)-N-methylbenzamide?
The InChIKey is UPSWWQLBUAXEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,3)7-8-18-12-6-5-10(9-11(12)15)13(17)16-4/h5-6,9H,7-8,15H2,1-4H3,(H,16,17).
What are the key properties of 3-amino-4-(3,3-dimethylbutoxy)-N-methylbenzamide?
3-amino-4-(3,3-dimethylbutoxy)-N-methylbenzamide has a molecular weight of 250.34 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3,3-dimethylbutoxy)-N-methylbenzamide is sourced from PubChem (CID 82999878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).