2-(2-amino-3-methylphenoxy)-N-(ethylcarbamoyl)propanamide

C13H19N3O3 — CID 43438016

IUPAC2-(2-amino-3-methylphenoxy)-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)Oc1cccc(C)c1N
InChIInChI=1S/C13H19N3O3/c1-4-15-13(18)16-12(17)9(3)19-10-7-5-6-8(2)11(10)14/h5-7,9H,4,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyOPHDIUSSXJQROH-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.19
Rot. Bonds4

About 2-(2-amino-3-methylphenoxy)-N-(ethylcarbamoyl)propanamide

2-(2-amino-3-methylphenoxy)-N-(ethylcarbamoyl)propanamide (PubChem CID 43438016) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(2-amino-3-methylphenoxy)-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(2-amino-3-methylphenoxy)-N-(ethylcarbamoyl)propanamide
PubChem CID43438016
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-(2-amino-3-methylphenoxy)-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)Oc1cccc(C)c1N
InChIInChI=1S/C13H19N3O3/c1-4-15-13(18)16-12(17)9(3)19-10-7-5-6-8(2)11(10)14/h5-7,9H,4,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyOPHDIUSSXJQROH-UHFFFAOYSA-N
XLogP1.19
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(ethylcarbamoyl)-2-(2-methylphenoxy)propanamide
CID 60625657
2-(5-amino-2-methylphenoxy)-N-(ethylcarbamoyl)propanamide
CID 43520156
2-(2-amino-3-methylphenoxy)-N-butan-2-ylpropanamide
CID 43381867
2-[2-(aminomethyl)-3-chlorophenoxy]-N-(ethylcarbamoyl)propanamide
CID 114318401
(2R)-2-(2-chlorophenoxy)-N-(ethylcarbamoyl)propanamide
CID 2631962
2-[5-(aminomethyl)-2-methylphenoxy]-N-(ethylcarbamoyl)propanamide
CID 107655961
2-[2-amino-5-(dimethylamino)phenoxy]-N-(ethylcarbamoyl)propanamide
CID 79557592
N-(ethylcarbamoyl)-2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]propanamide
CID 63650613
2-[3-(aminomethyl)phenoxy]-N-(ethylcarbamoyl)propanamide
CID 43115860
N-(methylcarbamoyl)-2-(2-methylphenoxy)propanamide
CID 60625654
N-(ethylcarbamoyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 60623989
[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenoxypropanoate
CID 8791134

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-methylphenoxy)-N-(ethylcarbamoyl)propanamide?
The IUPAC name of 2-(2-amino-3-methylphenoxy)-N-(ethylcarbamoyl)propanamide (CID 43438016) is 2-(2-amino-3-methylphenoxy)-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for 2-(2-amino-3-methylphenoxy)-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for 2-(2-amino-3-methylphenoxy)-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)C(C)Oc1cccc(C)c1N.
What is the InChIKey of 2-(2-amino-3-methylphenoxy)-N-(ethylcarbamoyl)propanamide?
The InChIKey is OPHDIUSSXJQROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-4-15-13(18)16-12(17)9(3)19-10-7-5-6-8(2)11(10)14/h5-7,9H,4,14H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 2-(2-amino-3-methylphenoxy)-N-(ethylcarbamoyl)propanamide?
2-(2-amino-3-methylphenoxy)-N-(ethylcarbamoyl)propanamide has a molecular weight of 265.31 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-methylphenoxy)-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 43438016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).