3-(3-aminophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide

C15H24N2O2 — CID 79385637

IUPAC3-(3-aminophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
SMILESCCN(CC(C)(C)O)C(=O)CCc1cccc(N)c1
InChIInChI=1S/C15H24N2O2/c1-4-17(11-15(2,3)19)14(18)9-8-12-6-5-7-13(16)10-12/h5-7,10,19H,4,8-9,11,16H2,1-3H3
InChIKeyXQBZETJGLRVYOK-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.82
Rot. Bonds6

About 3-(3-aminophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide

3-(3-aminophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide (PubChem CID 79385637) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
PubChem CID79385637
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-(3-aminophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
SMILESCCN(CC(C)(C)O)C(=O)CCc1cccc(N)c1
InChIInChI=1S/C15H24N2O2/c1-4-17(11-15(2,3)19)14(18)9-8-12-6-5-7-13(16)10-12/h5-7,10,19H,4,8-9,11,16H2,1-3H3
InChIKeyXQBZETJGLRVYOK-UHFFFAOYSA-N
XLogP1.82
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.82
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-(3-aminophenyl)-N-benzyl-N-ethylpropanamide
CID 28713346
[2-(diethylamino)-2-oxoethyl] 3-(3-aminophenyl)propanoate
CID 80701327
3-(3-aminophenyl)-N-ethyl-N-propan-2-ylpropanamide
CID 43309224
3-[4-(dimethylamino)phenyl]-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
CID 79377688
3-(3-aminophenyl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 80694736
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-phenylpropanamide
CID 79668144
N,N-diethyl-3-(3-methylphenyl)propanamide
CID 60701900
3-(3-aminophenyl)-N-methyl-N-(2-methylbutyl)propanamide
CID 43308993
3-(2-bromophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
CID 111596500
N-[(3-aminophenyl)methyl]-N-ethyl-3-methoxypropanamide
CID 62588734
N-[(3-aminophenyl)methyl]-N-ethylhexanamide
CID 43383879
3-(3-aminophenyl)-N-(1-hydroxypropan-2-yl)-N-methylpropanamide
CID 104550949

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide?
The IUPAC name of 3-(3-aminophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide (CID 79385637) is 3-(3-aminophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide is CCN(CC(C)(C)O)C(=O)CCc1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide?
The InChIKey is XQBZETJGLRVYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-17(11-15(2,3)19)14(18)9-8-12-6-5-7-13(16)10-12/h5-7,10,19H,4,8-9,11,16H2,1-3H3.
What are the key properties of 3-(3-aminophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide?
3-(3-aminophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide has a molecular weight of 264.37 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide is sourced from PubChem (CID 79385637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).