3-(2-amino-5-methylphenoxy)-N-ethylpropanamide

C12H18N2O2 — CID 62325813

IUPAC3-(2-amino-5-methylphenoxy)-N-ethylpropanamide
SMILESCCNC(=O)CCOc1cc(C)ccc1N
InChIInChI=1S/C12H18N2O2/c1-3-14-12(15)6-7-16-11-8-9(2)4-5-10(11)13/h4-5,8H,3,6-7,13H2,1-2H3,(H,14,15)
InChIKeyRLZTWMPVFGUPMR-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.48
Rot. Bonds5

About 3-(2-amino-5-methylphenoxy)-N-ethylpropanamide

3-(2-amino-5-methylphenoxy)-N-ethylpropanamide (PubChem CID 62325813) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-(2-amino-5-methylphenoxy)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(2-amino-5-methylphenoxy)-N-ethylpropanamide
PubChem CID62325813
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-(2-amino-5-methylphenoxy)-N-ethylpropanamide
SMILESCCNC(=O)CCOc1cc(C)ccc1N
InChIInChI=1S/C12H18N2O2/c1-3-14-12(15)6-7-16-11-8-9(2)4-5-10(11)13/h4-5,8H,3,6-7,13H2,1-2H3,(H,14,15)
InChIKeyRLZTWMPVFGUPMR-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
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-(2-amino-5-methylphenoxy)propanoic acid
CID 63948473
3-(3-amino-2-methylphenoxy)-N-ethylpropanamide
CID 62326727
3-(2-amino-4-bromophenoxy)-N-ethylpropanamide
CID 65430157
3-(2,5-dimethylphenoxy)-N-propylpropanamide
CID 60637796
4-methyl-2-propoxyaniline
CID 24698653
N-ethyl-3-(3-methylphenoxy)propanamide
CID 2129235
3-(4-amino-2-cyanophenoxy)-N-ethylpropanamide
CID 55061966
4-methyl-2-(2-propoxyethoxy)aniline
CID 26189548
4-[3-(2,5-dimethylphenoxy)propanoylamino]butanamide
CID 56812747
[3-(ethylamino)-3-oxopropyl] 2-(2-aminophenoxy)acetate
CID 55060432
3-(2,5-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 27259732
2-(2-amino-5-methylphenoxy)-N-pentan-3-ylacetamide
CID 54956904

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-methylphenoxy)-N-ethylpropanamide?
The IUPAC name of 3-(2-amino-5-methylphenoxy)-N-ethylpropanamide (CID 62325813) is 3-(2-amino-5-methylphenoxy)-N-ethylpropanamide.
What is the SMILES notation for 3-(2-amino-5-methylphenoxy)-N-ethylpropanamide?
The canonical SMILES for 3-(2-amino-5-methylphenoxy)-N-ethylpropanamide is CCNC(=O)CCOc1cc(C)ccc1N.
What is the InChIKey of 3-(2-amino-5-methylphenoxy)-N-ethylpropanamide?
The InChIKey is RLZTWMPVFGUPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-14-12(15)6-7-16-11-8-9(2)4-5-10(11)13/h4-5,8H,3,6-7,13H2,1-2H3,(H,14,15).
What are the key properties of 3-(2-amino-5-methylphenoxy)-N-ethylpropanamide?
3-(2-amino-5-methylphenoxy)-N-ethylpropanamide has a molecular weight of 222.29 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-methylphenoxy)-N-ethylpropanamide is sourced from PubChem (CID 62325813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).