3-(2-aminophenyl)-N-methyl-N-(2-propan-2-yloxyethyl)propanamide

C15H24N2O2 — CID 81062073

IUPAC3-(2-aminophenyl)-N-methyl-N-(2-propan-2-yloxyethyl)propanamide
SMILESCC(C)OCCN(C)C(=O)CCc1ccccc1N
InChIInChI=1S/C15H24N2O2/c1-12(2)19-11-10-17(3)15(18)9-8-13-6-4-5-7-14(13)16/h4-7,12H,8-11,16H2,1-3H3
InChIKeyMQJSSDUPRHWUNR-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.08
Rot. Bonds7

About 3-(2-aminophenyl)-N-methyl-N-(2-propan-2-yloxyethyl)propanamide

3-(2-aminophenyl)-N-methyl-N-(2-propan-2-yloxyethyl)propanamide (PubChem CID 81062073) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-methyl-N-(2-propan-2-yloxyethyl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-methyl-N-(2-propan-2-yloxyethyl)propanamide
PubChem CID81062073
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-(2-aminophenyl)-N-methyl-N-(2-propan-2-yloxyethyl)propanamide
SMILESCC(C)OCCN(C)C(=O)CCc1ccccc1N
InChIInChI=1S/C15H24N2O2/c1-12(2)19-11-10-17(3)15(18)9-8-13-6-4-5-7-14(13)16/h4-7,12H,8-11,16H2,1-3H3
InChIKeyMQJSSDUPRHWUNR-UHFFFAOYSA-N
XLogP2.08
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-(2-ethoxyethyl)-N-methylpropanamide
CID 81061981
3-[3-(2-aminophenyl)propanoyl-methylamino]propanoic acid
CID 107273041
3-(2-aminophenyl)-N-methyl-N-(2-methylpropyl)propanamide
CID 43309262
3-(2-aminophenyl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide
CID 120608378
3-(2-aminophenyl)-N-methyl-N-(3-phenoxypropyl)propanamide
CID 120609279
3-(2-aminophenyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylpropanamide
CID 120608115
3-(2-aminophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide;hydrochloride
CID 120608367
3-(2-aminophenyl)-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpropanamide
CID 120611859
3-(2-aminophenyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide;hydrochloride
CID 120609501
3-(2-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 28713762
3-(2-aminophenyl)-N-methyl-N-pent-4-enylpropanamide
CID 107273406
3-(2-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 43309211

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-methyl-N-(2-propan-2-yloxyethyl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-methyl-N-(2-propan-2-yloxyethyl)propanamide (CID 81062073) is 3-(2-aminophenyl)-N-methyl-N-(2-propan-2-yloxyethyl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-methyl-N-(2-propan-2-yloxyethyl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-methyl-N-(2-propan-2-yloxyethyl)propanamide is CC(C)OCCN(C)C(=O)CCc1ccccc1N.
What is the InChIKey of 3-(2-aminophenyl)-N-methyl-N-(2-propan-2-yloxyethyl)propanamide?
The InChIKey is MQJSSDUPRHWUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12(2)19-11-10-17(3)15(18)9-8-13-6-4-5-7-14(13)16/h4-7,12H,8-11,16H2,1-3H3.
What are the key properties of 3-(2-aminophenyl)-N-methyl-N-(2-propan-2-yloxyethyl)propanamide?
3-(2-aminophenyl)-N-methyl-N-(2-propan-2-yloxyethyl)propanamide has a molecular weight of 264.37 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-methyl-N-(2-propan-2-yloxyethyl)propanamide is sourced from PubChem (CID 81062073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).