3-(3-amino-4-methoxyphenyl)-N-ethylpropanamide

C12H18N2O2 — CID 39245446

IUPAC3-(3-amino-4-methoxyphenyl)-N-ethylpropanamide
SMILESCCNC(=O)CCc1ccc(OC)c(N)c1
InChIInChI=1S/C12H18N2O2/c1-3-14-12(15)7-5-9-4-6-11(16-2)10(13)8-9/h4,6,8H,3,5,7,13H2,1-2H3,(H,14,15)
InChIKeyPSQALXABMPIWEJ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.35
Rot. Bonds5

About 3-(3-amino-4-methoxyphenyl)-N-ethylpropanamide

3-(3-amino-4-methoxyphenyl)-N-ethylpropanamide (PubChem CID 39245446) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-(3-amino-4-methoxyphenyl)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(3-amino-4-methoxyphenyl)-N-ethylpropanamide
PubChem CID39245446
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-(3-amino-4-methoxyphenyl)-N-ethylpropanamide
SMILESCCNC(=O)CCc1ccc(OC)c(N)c1
InChIInChI=1S/C12H18N2O2/c1-3-14-12(15)7-5-9-4-6-11(16-2)10(13)8-9/h4,6,8H,3,5,7,13H2,1-2H3,(H,14,15)
InChIKeyPSQALXABMPIWEJ-UHFFFAOYSA-N
XLogP1.35
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.35
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-amino-4-methoxyphenyl)-N-[(4-chlorophenyl)methyl]propanamide
CID 94759047
3-(4-ethoxy-3-methoxyphenyl)-N-ethylpropanamide
CID 58655084
3-(3-ethoxy-4-methoxyphenyl)-N-ethylpropanamide
CID 58655197
3-(3-amino-4-methoxyphenyl)-N-butan-2-ylpropanamide
CID 112501637
3-(3-amino-4-methoxyphenyl)-N-(4-methylphenyl)propanamide
CID 39384748
3-(3-amino-4-methoxyphenyl)-N-cyclopentylpropanamide
CID 39362398
3-(3-amino-4-methoxyphenyl)-N-(4-ethoxyphenyl)propanamide
CID 39456651
3-(3-amino-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 39442278
3-(3-amino-4-methoxyphenyl)-N-naphthalen-1-ylpropanamide
CID 94760233
3-(3-amino-4-butoxyphenyl)-N-propylpropanamide
CID 82152760
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]butanamide
CID 108574268
3-(3-amino-4-methoxyphenyl)-N-(3-imidazol-1-ylpropyl)propanamide
CID 82152650

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-methoxyphenyl)-N-ethylpropanamide?
The IUPAC name of 3-(3-amino-4-methoxyphenyl)-N-ethylpropanamide (CID 39245446) is 3-(3-amino-4-methoxyphenyl)-N-ethylpropanamide.
What is the SMILES notation for 3-(3-amino-4-methoxyphenyl)-N-ethylpropanamide?
The canonical SMILES for 3-(3-amino-4-methoxyphenyl)-N-ethylpropanamide is CCNC(=O)CCc1ccc(OC)c(N)c1.
What is the InChIKey of 3-(3-amino-4-methoxyphenyl)-N-ethylpropanamide?
The InChIKey is PSQALXABMPIWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-14-12(15)7-5-9-4-6-11(16-2)10(13)8-9/h4,6,8H,3,5,7,13H2,1-2H3,(H,14,15).
What are the key properties of 3-(3-amino-4-methoxyphenyl)-N-ethylpropanamide?
3-(3-amino-4-methoxyphenyl)-N-ethylpropanamide has a molecular weight of 222.29 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-methoxyphenyl)-N-ethylpropanamide is sourced from PubChem (CID 39245446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).