3-amino-4-[(2-methylpropan-2-yl)oxymethyl]benzamide

C12H18N2O2 — CID 43376807

IUPAC3-amino-4-[(2-methylpropan-2-yl)oxymethyl]benzamide
SMILESCC(C)(C)OCc1ccc(C(N)=O)cc1N
InChIInChI=1S/C12H18N2O2/c1-12(2,3)16-7-9-5-4-8(11(14)15)6-10(9)13/h4-6H,7,13H2,1-3H3,(H2,14,15)
InChIKeyPICBSDOOZCLXNI-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.68
Rot. Bonds3

About 3-amino-4-[(2-methylpropan-2-yl)oxymethyl]benzamide

3-amino-4-[(2-methylpropan-2-yl)oxymethyl]benzamide (PubChem CID 43376807) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-amino-4-[(2-methylpropan-2-yl)oxymethyl]benzamide.

Molecular Properties

Compound Name3-amino-4-[(2-methylpropan-2-yl)oxymethyl]benzamide
PubChem CID43376807
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-amino-4-[(2-methylpropan-2-yl)oxymethyl]benzamide
SMILESCC(C)(C)OCc1ccc(C(N)=O)cc1N
InChIInChI=1S/C12H18N2O2/c1-12(2,3)16-7-9-5-4-8(11(14)15)6-10(9)13/h4-6H,7,13H2,1-3H3,(H2,14,15)
InChIKeyPICBSDOOZCLXNI-UHFFFAOYSA-N
XLogP1.68
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.68
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-ethylbenzamide
CID 19977641
3-amino-4-(tert-butylsulfonylmethyl)benzamide
CID 43382306
3-amino-4-[(2,6-dimethylphenoxy)methyl]benzamide
CID 43376384
3-amino-4-[3-(2-methoxyethoxy)propoxymethyl]benzamide
CID 103401297
3-amino-4-(heptoxymethyl)benzamide
CID 43376790
3-amino-4-[(3,5-dimethylcyclohexyl)oxymethyl]benzamide
CID 64731168
3-amino-4-[(4-propan-2-ylphenoxy)methyl]benzamide
CID 43376404
3-amino-4-[2-(3-methoxypropoxy)ethoxymethyl]benzamide
CID 103176862
3-amino-4-(methylsulfinylmethyl)benzamide
CID 61289265
3-amino-4-[(2-chloro-5-methylphenoxy)methyl]benzamide
CID 43376923
3-amino-4-[(2-methoxy-4-methylphenoxy)methyl]benzamide
CID 43376560
3-amino-4-[(4-chloro-3-ethylphenoxy)methyl]benzamide
CID 43376930

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(2-methylpropan-2-yl)oxymethyl]benzamide?
The IUPAC name of 3-amino-4-[(2-methylpropan-2-yl)oxymethyl]benzamide (CID 43376807) is 3-amino-4-[(2-methylpropan-2-yl)oxymethyl]benzamide.
What is the SMILES notation for 3-amino-4-[(2-methylpropan-2-yl)oxymethyl]benzamide?
The canonical SMILES for 3-amino-4-[(2-methylpropan-2-yl)oxymethyl]benzamide is CC(C)(C)OCc1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-[(2-methylpropan-2-yl)oxymethyl]benzamide?
The InChIKey is PICBSDOOZCLXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-12(2,3)16-7-9-5-4-8(11(14)15)6-10(9)13/h4-6H,7,13H2,1-3H3,(H2,14,15).
What are the key properties of 3-amino-4-[(2-methylpropan-2-yl)oxymethyl]benzamide?
3-amino-4-[(2-methylpropan-2-yl)oxymethyl]benzamide has a molecular weight of 222.29 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(2-methylpropan-2-yl)oxymethyl]benzamide is sourced from PubChem (CID 43376807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).