3-(3-aminophenyl)-N-ethyl-N-(1-methoxypropan-2-yl)propanamide

C15H24N2O2 — CID 55009959

IUPAC3-(3-aminophenyl)-N-ethyl-N-(1-methoxypropan-2-yl)propanamide
SMILESCCN(C(=O)CCc1cccc(N)c1)C(C)COC
InChIInChI=1S/C15H24N2O2/c1-4-17(12(2)11-19-3)15(18)9-8-13-6-5-7-14(16)10-13/h5-7,10,12H,4,8-9,11,16H2,1-3H3
InChIKeyFLSPXTLXXCYXGO-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.08
Rot. Bonds7

About 3-(3-aminophenyl)-N-ethyl-N-(1-methoxypropan-2-yl)propanamide

3-(3-aminophenyl)-N-ethyl-N-(1-methoxypropan-2-yl)propanamide (PubChem CID 55009959) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-ethyl-N-(1-methoxypropan-2-yl)propanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-ethyl-N-(1-methoxypropan-2-yl)propanamide
PubChem CID55009959
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-(3-aminophenyl)-N-ethyl-N-(1-methoxypropan-2-yl)propanamide
SMILESCCN(C(=O)CCc1cccc(N)c1)C(C)COC
InChIInChI=1S/C15H24N2O2/c1-4-17(12(2)11-19-3)15(18)9-8-13-6-5-7-14(16)10-13/h5-7,10,12H,4,8-9,11,16H2,1-3H3
InChIKeyFLSPXTLXXCYXGO-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'}

Analyze 3-(3-aminophenyl)-N-ethyl-N-(1-methoxypropan-2-yl)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-ethyl-N-propan-2-ylpropanamide
CID 43309224
methyl 2-[3-(3-aminophenyl)propanoyl-propan-2-ylamino]acetate
CID 80701573
3-[3-(3-aminophenyl)propanoyl-propan-2-ylamino]propanoic acid
CID 115341312
3-(3-aminophenyl)-N-(1-hydroxypropan-2-yl)-N-methylpropanamide
CID 104550949
3-(3-aminophenyl)-N-methyl-N-(2-methylbutyl)propanamide
CID 43308993
2-(3-aminophenyl)-N-ethyl-N-propan-2-ylacetamide
CID 62498182
3-[ethyl-[3-(3-methoxyphenyl)propanoyl]amino]butanoic acid
CID 62827595
3-(3-aminophenyl)-N-benzyl-N-ethylpropanamide
CID 28713346
N-[(3-aminophenyl)methyl]-N-ethyl-3-methoxypropanamide
CID 62588734
2-[3-(3-aminophenyl)propanoylamino]-3-methoxypropanoic acid
CID 115341613
[2-(diethylamino)-2-oxoethyl] 3-(3-aminophenyl)propanoate
CID 80701327
3-(3-aminophenyl)-N-(3-methylpentan-2-yl)propanamide
CID 54955617

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-ethyl-N-(1-methoxypropan-2-yl)propanamide?
The IUPAC name of 3-(3-aminophenyl)-N-ethyl-N-(1-methoxypropan-2-yl)propanamide (CID 55009959) is 3-(3-aminophenyl)-N-ethyl-N-(1-methoxypropan-2-yl)propanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-ethyl-N-(1-methoxypropan-2-yl)propanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-ethyl-N-(1-methoxypropan-2-yl)propanamide is CCN(C(=O)CCc1cccc(N)c1)C(C)COC.
What is the InChIKey of 3-(3-aminophenyl)-N-ethyl-N-(1-methoxypropan-2-yl)propanamide?
The InChIKey is FLSPXTLXXCYXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-17(12(2)11-19-3)15(18)9-8-13-6-5-7-14(16)10-13/h5-7,10,12H,4,8-9,11,16H2,1-3H3.
What are the key properties of 3-(3-aminophenyl)-N-ethyl-N-(1-methoxypropan-2-yl)propanamide?
3-(3-aminophenyl)-N-ethyl-N-(1-methoxypropan-2-yl)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-(3-aminophenyl)-N-ethyl-N-(1-methoxypropan-2-yl)propanamide is sourced from PubChem (CID 55009959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).