3-amino-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)benzamide

C15H24N2O2 — CID 61105794

IUPAC3-amino-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)benzamide
SMILESCOCCN(CC(C)C)C(=O)c1cccc(N)c1C
InChIInChI=1S/C15H24N2O2/c1-11(2)10-17(8-9-19-4)15(18)13-6-5-7-14(16)12(13)3/h5-7,11H,8-10,16H2,1-4H3
InChIKeyYJOHGGUELBEAOL-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.32
Rot. Bonds6

About 3-amino-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)benzamide

3-amino-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)benzamide (PubChem CID 61105794) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-amino-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-amino-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)benzamide
PubChem CID61105794
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-amino-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)benzamide
SMILESCOCCN(CC(C)C)C(=O)c1cccc(N)c1C
InChIInChI=1S/C15H24N2O2/c1-11(2)10-17(8-9-19-4)15(18)13-6-5-7-14(16)12(13)3/h5-7,11H,8-10,16H2,1-4H3
InChIKeyYJOHGGUELBEAOL-UHFFFAOYSA-N
XLogP2.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-amino-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)benzamide (CID 61105794) is 3-amino-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-amino-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-amino-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)benzamide is COCCN(CC(C)C)C(=O)c1cccc(N)c1C.
What is the InChIKey of 3-amino-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)benzamide?
The InChIKey is YJOHGGUELBEAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)10-17(8-9-19-4)15(18)13-6-5-7-14(16)12(13)3/h5-7,11H,8-10,16H2,1-4H3.
What are the key properties of 3-amino-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)benzamide?
3-amino-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 264.37 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 61105794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).