2-amino-3-(2-methylbutan-2-yloxy)benzamide

C12H18N2O2 — CID 115547085

IUPAC2-amino-3-(2-methylbutan-2-yloxy)benzamide
SMILESCCC(C)(C)Oc1cccc(C(N)=O)c1N
InChIInChI=1S/C12H18N2O2/c1-4-12(2,3)16-9-7-5-6-8(10(9)13)11(14)15/h5-7H,4,13H2,1-3H3,(H2,14,15)
InChIKeyMWSFBKHQMJBWCW-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.94
Rot. Bonds4

About 2-amino-3-(2-methylbutan-2-yloxy)benzamide

2-amino-3-(2-methylbutan-2-yloxy)benzamide (PubChem CID 115547085) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-amino-3-(2-methylbutan-2-yloxy)benzamide.

Molecular Properties

Compound Name2-amino-3-(2-methylbutan-2-yloxy)benzamide
PubChem CID115547085
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-amino-3-(2-methylbutan-2-yloxy)benzamide
SMILESCCC(C)(C)Oc1cccc(C(N)=O)c1N
InChIInChI=1S/C12H18N2O2/c1-4-12(2,3)16-9-7-5-6-8(10(9)13)11(14)15/h5-7H,4,13H2,1-3H3,(H2,14,15)
InChIKeyMWSFBKHQMJBWCW-UHFFFAOYSA-N
XLogP1.94
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.94
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

2-amino-3-ethoxybenzamide
CID 70121071
2-amino-3-(3,3-dimethylbutoxy)benzamide
CID 115547344
3-methoxy-2-(2-methylbutan-2-yl)benzamide
CID 146620823
N-acetyl-2-(2-methylbutan-2-yloxy)benzamide
CID 174864650
2-amino-3-(4,4,4-trifluorobutoxy)benzamide
CID 82787642
2-[(2-methylpropan-2-yl)oxy]benzamide
CID 23204949
2-amino-3-(1-methoxypropan-2-yloxy)benzamide
CID 115547300
2-amino-3-methoxy-N-(3-methylpentan-3-yl)benzamide
CID 114174079
1-ethyl-2-(2-methylbutan-2-yloxy)benzene
CID 13132255
2-amino-3-(2,4,4-trimethylpentan-2-ylamino)benzamide
CID 115545611
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-2,3-dimethoxybenzamide
CID 61120213
2-amino-3-(3,4-dimethylphenoxy)benzamide
CID 115546944

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-methylbutan-2-yloxy)benzamide?
The IUPAC name of 2-amino-3-(2-methylbutan-2-yloxy)benzamide (CID 115547085) is 2-amino-3-(2-methylbutan-2-yloxy)benzamide.
What is the SMILES notation for 2-amino-3-(2-methylbutan-2-yloxy)benzamide?
The canonical SMILES for 2-amino-3-(2-methylbutan-2-yloxy)benzamide is CCC(C)(C)Oc1cccc(C(N)=O)c1N.
What is the InChIKey of 2-amino-3-(2-methylbutan-2-yloxy)benzamide?
The InChIKey is MWSFBKHQMJBWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-12(2,3)16-9-7-5-6-8(10(9)13)11(14)15/h5-7H,4,13H2,1-3H3,(H2,14,15).
What are the key properties of 2-amino-3-(2-methylbutan-2-yloxy)benzamide?
2-amino-3-(2-methylbutan-2-yloxy)benzamide has a molecular weight of 222.29 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-methylbutan-2-yloxy)benzamide is sourced from PubChem (CID 115547085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).