3-amino-N-methyl-2-(2-methylpropoxy)benzamide

C12H18N2O2 — CID 154814953

IUPAC3-amino-N-methyl-2-(2-methylpropoxy)benzamide
SMILESCNC(=O)c1cccc(N)c1OCC(C)C
InChIInChI=1S/C12H18N2O2/c1-8(2)7-16-11-9(12(15)14-3)5-4-6-10(11)13/h4-6,8H,7,13H2,1-3H3,(H,14,15)
InChIKeyLCPMYSHJYIRQSY-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.66
Rot. Bonds4

About 3-amino-N-methyl-2-(2-methylpropoxy)benzamide

3-amino-N-methyl-2-(2-methylpropoxy)benzamide (PubChem CID 154814953) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-amino-N-methyl-2-(2-methylpropoxy)benzamide.

Molecular Properties

Compound Name3-amino-N-methyl-2-(2-methylpropoxy)benzamide
PubChem CID154814953
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-amino-N-methyl-2-(2-methylpropoxy)benzamide
SMILESCNC(=O)c1cccc(N)c1OCC(C)C
InChIInChI=1S/C12H18N2O2/c1-8(2)7-16-11-9(12(15)14-3)5-4-6-10(11)13/h4-6,8H,7,13H2,1-3H3,(H,14,15)
InChIKeyLCPMYSHJYIRQSY-UHFFFAOYSA-N
XLogP1.66
TPSA64.35 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 ≤ 51.66
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-2-ethoxy-N-methylbenzamide
CID 112693169
3-amino-N-methyl-2-propan-2-yloxybenzamide
CID 154814948
3-methyl-2-(2-methylpropoxy)aniline
CID 70699878
3-amino-2-ethoxy-N-(2-hydroxypropyl)benzamide
CID 113386382
3-amino-2-ethoxy-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 113472635
3-amino-2-bromo-N-methylbenzamide
CID 100681188
3-amino-2-ethoxy-N-pent-4-yn-2-ylbenzamide
CID 113476869
2-methylpropyl 3-methyl-2-(2-methylpropoxy)benzoate
CID 141402360
3-amino-N-[(2S)-2-hydroxypropyl]-2-methoxybenzamide
CID 107211143
2-hydroxy-1-N-methyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 153307876
ethyl 3-amino-2-(3-methylbutoxy)benzoate
CID 112579665
3-amino-2-[4-(methylamino)-4-oxobutoxy]benzoic acid
CID 107077444

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-2-(2-methylpropoxy)benzamide?
The IUPAC name of 3-amino-N-methyl-2-(2-methylpropoxy)benzamide (CID 154814953) is 3-amino-N-methyl-2-(2-methylpropoxy)benzamide.
What is the SMILES notation for 3-amino-N-methyl-2-(2-methylpropoxy)benzamide?
The canonical SMILES for 3-amino-N-methyl-2-(2-methylpropoxy)benzamide is CNC(=O)c1cccc(N)c1OCC(C)C.
What is the InChIKey of 3-amino-N-methyl-2-(2-methylpropoxy)benzamide?
The InChIKey is LCPMYSHJYIRQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8(2)7-16-11-9(12(15)14-3)5-4-6-10(11)13/h4-6,8H,7,13H2,1-3H3,(H,14,15).
What are the key properties of 3-amino-N-methyl-2-(2-methylpropoxy)benzamide?
3-amino-N-methyl-2-(2-methylpropoxy)benzamide has a molecular weight of 222.29 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-2-(2-methylpropoxy)benzamide is sourced from PubChem (CID 154814953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).