3-(3-aminophenyl)-N-(2-methylpropoxy)propanamide

C13H20N2O2 — CID 82721321

IUPAC3-(3-aminophenyl)-N-(2-methylpropoxy)propanamide
SMILESCC(C)CONC(=O)CCc1cccc(N)c1
InChIInChI=1S/C13H20N2O2/c1-10(2)9-17-15-13(16)7-6-11-4-3-5-12(14)8-11/h3-5,8,10H,6-7,9,14H2,1-2H3,(H,15,16)
InChIKeyIOOAJIWKXUAYFD-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.91
Rot. Bonds6

About 3-(3-aminophenyl)-N-(2-methylpropoxy)propanamide

3-(3-aminophenyl)-N-(2-methylpropoxy)propanamide (PubChem CID 82721321) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-(2-methylpropoxy)propanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-(2-methylpropoxy)propanamide
PubChem CID82721321
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-(3-aminophenyl)-N-(2-methylpropoxy)propanamide
SMILESCC(C)CONC(=O)CCc1cccc(N)c1
InChIInChI=1S/C13H20N2O2/c1-10(2)9-17-15-13(16)7-6-11-4-3-5-12(14)8-11/h3-5,8,10H,6-7,9,14H2,1-2H3,(H,15,16)
InChIKeyIOOAJIWKXUAYFD-UHFFFAOYSA-N
XLogP1.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-aminophenyl)-N-(2-methylpropoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-aminophenyl)-N-(3-methylpentan-2-yl)propanamide
CID 54955617
3-(3-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]propanamide
CID 107210300
(2R)-2-[3-(3-aminophenyl)propanoylamino]propanoic acid
CID 113290562
3-(3-aminophenyl)-N-pentan-2-ylpropanamide
CID 43309032
N-[4-[3-(3-aminophenyl)propanoylamino]phenyl]-3-methylbutanamide
CID 54795255
[2-(3-methylbutylamino)-2-oxoethyl] 3-(3-aminophenyl)propanoate
CID 80695575
2-[3-(3-aminophenyl)propanoylamino]-3-methoxypropanoic acid
CID 115341613
3-(3-aminophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 115341627
3-(3-aminophenyl)-N-[(1R)-1-(4-bromophenyl)ethyl]propanamide
CID 115341637
3-(3-aminophenyl)-N-propylpropanamide
CID 28713263
N-[(3-aminophenyl)methyl]-4-methylpentanamide
CID 62500233
4-(3-aminophenyl)-N-(2-methylpropyl)butanamide
CID 94262385

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-(2-methylpropoxy)propanamide?
The IUPAC name of 3-(3-aminophenyl)-N-(2-methylpropoxy)propanamide (CID 82721321) is 3-(3-aminophenyl)-N-(2-methylpropoxy)propanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-(2-methylpropoxy)propanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-(2-methylpropoxy)propanamide is CC(C)CONC(=O)CCc1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenyl)-N-(2-methylpropoxy)propanamide?
The InChIKey is IOOAJIWKXUAYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(2)9-17-15-13(16)7-6-11-4-3-5-12(14)8-11/h3-5,8,10H,6-7,9,14H2,1-2H3,(H,15,16).
What are the key properties of 3-(3-aminophenyl)-N-(2-methylpropoxy)propanamide?
3-(3-aminophenyl)-N-(2-methylpropoxy)propanamide has a molecular weight of 236.31 g/mol, XLogP of 1.91, 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-(2-methylpropoxy)propanamide is sourced from PubChem (CID 82721321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).