3-(2-aminophenyl)-N-methyl-N-(2-methylpropyl)propanamide

C14H22N2O — CID 43309262

IUPAC3-(2-aminophenyl)-N-methyl-N-(2-methylpropyl)propanamide
SMILESCC(C)CN(C)C(=O)CCc1ccccc1N
InChIInChI=1S/C14H22N2O/c1-11(2)10-16(3)14(17)9-8-12-6-4-5-7-13(12)15/h4-7,11H,8-10,15H2,1-3H3
InChIKeyATCLOEOKGJKJPH-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.32
Rot. Bonds5

About 3-(2-aminophenyl)-N-methyl-N-(2-methylpropyl)propanamide

3-(2-aminophenyl)-N-methyl-N-(2-methylpropyl)propanamide (PubChem CID 43309262) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-methyl-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-methyl-N-(2-methylpropyl)propanamide
PubChem CID43309262
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-(2-aminophenyl)-N-methyl-N-(2-methylpropyl)propanamide
SMILESCC(C)CN(C)C(=O)CCc1ccccc1N
InChIInChI=1S/C14H22N2O/c1-11(2)10-16(3)14(17)9-8-12-6-4-5-7-13(12)15/h4-7,11H,8-10,15H2,1-3H3
InChIKeyATCLOEOKGJKJPH-UHFFFAOYSA-N
XLogP2.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-methyl-N-(2-propan-2-yloxyethyl)propanamide
CID 81062073
3-[3-(2-aminophenyl)propanoyl-methylamino]propanoic acid
CID 107273041
3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-methylpropanamide
CID 54883935
3-(2-aminophenyl)-N-(2-ethoxyethyl)-N-methylpropanamide
CID 81061981
3-(2-aminophenyl)-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide
CID 107272887
3-(2-aminophenyl)-N-methyl-N-phenylpropanamide
CID 28713868
3-(2-aminophenyl)-N-methyl-N-pent-4-enylpropanamide
CID 107273406
3-(2-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 28713762
3-(2-aminophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)propanamide
CID 120610892
3-(2-aminophenyl)-N-methyl-N-(3-phenoxypropyl)propanamide
CID 120609279
3-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide;hydrochloride
CID 120609150
3-(2-aminophenyl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]propanamide
CID 120610443

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-methyl-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-methyl-N-(2-methylpropyl)propanamide (CID 43309262) is 3-(2-aminophenyl)-N-methyl-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-methyl-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-methyl-N-(2-methylpropyl)propanamide is CC(C)CN(C)C(=O)CCc1ccccc1N.
What is the InChIKey of 3-(2-aminophenyl)-N-methyl-N-(2-methylpropyl)propanamide?
The InChIKey is ATCLOEOKGJKJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(2)10-16(3)14(17)9-8-12-6-4-5-7-13(12)15/h4-7,11H,8-10,15H2,1-3H3.
What are the key properties of 3-(2-aminophenyl)-N-methyl-N-(2-methylpropyl)propanamide?
3-(2-aminophenyl)-N-methyl-N-(2-methylpropyl)propanamide has a molecular weight of 234.34 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-methyl-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 43309262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).