2-(5-amino-2-methylphenoxy)-N-(ethylcarbamoyl)propanamide

C13H19N3O3 — CID 43520156

IUPAC2-(5-amino-2-methylphenoxy)-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)Oc1cc(N)ccc1C
InChIInChI=1S/C13H19N3O3/c1-4-15-13(18)16-12(17)9(3)19-11-7-10(14)6-5-8(11)2/h5-7,9H,4,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyXCEBKDCJVRUSLE-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.19
Rot. Bonds4

About 2-(5-amino-2-methylphenoxy)-N-(ethylcarbamoyl)propanamide

2-(5-amino-2-methylphenoxy)-N-(ethylcarbamoyl)propanamide (PubChem CID 43520156) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(5-amino-2-methylphenoxy)-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(5-amino-2-methylphenoxy)-N-(ethylcarbamoyl)propanamide
PubChem CID43520156
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-(5-amino-2-methylphenoxy)-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)Oc1cc(N)ccc1C
InChIInChI=1S/C13H19N3O3/c1-4-15-13(18)16-12(17)9(3)19-11-7-10(14)6-5-8(11)2/h5-7,9H,4,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyXCEBKDCJVRUSLE-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

2-[5-(aminomethyl)-2-methylphenoxy]-N-(ethylcarbamoyl)propanamide
CID 107655961
N-(ethylcarbamoyl)-2-(2-methylphenoxy)propanamide
CID 60625657
2-(2-amino-3-methylphenoxy)-N-(ethylcarbamoyl)propanamide
CID 43438016
2-(5-amino-2-methylphenoxy)-N-(3-methoxypropyl)propanamide
CID 43520147
2-[2-amino-5-(dimethylamino)phenoxy]-N-(ethylcarbamoyl)propanamide
CID 79557592
N-(ethylcarbamoyl)-2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]propanamide
CID 63650613
N-ethyl-2-(5-fluoro-2-methylphenoxy)propanamide
CID 102990501
(2R)-2-(2-chlorophenoxy)-N-(ethylcarbamoyl)propanamide
CID 2631962
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-aminobenzoate
CID 60625551
2-(4-amino-2-methylphenyl)sulfinyl-N-(ethylcarbamoyl)propanamide
CID 81193311
2-[2-(aminomethyl)-3-chlorophenoxy]-N-(ethylcarbamoyl)propanamide
CID 114318401
N-[2-(ethylamino)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119508717

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-methylphenoxy)-N-(ethylcarbamoyl)propanamide?
The IUPAC name of 2-(5-amino-2-methylphenoxy)-N-(ethylcarbamoyl)propanamide (CID 43520156) is 2-(5-amino-2-methylphenoxy)-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for 2-(5-amino-2-methylphenoxy)-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for 2-(5-amino-2-methylphenoxy)-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)C(C)Oc1cc(N)ccc1C.
What is the InChIKey of 2-(5-amino-2-methylphenoxy)-N-(ethylcarbamoyl)propanamide?
The InChIKey is XCEBKDCJVRUSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-4-15-13(18)16-12(17)9(3)19-11-7-10(14)6-5-8(11)2/h5-7,9H,4,14H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 2-(5-amino-2-methylphenoxy)-N-(ethylcarbamoyl)propanamide?
2-(5-amino-2-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-(5-amino-2-methylphenoxy)-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 43520156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).