2-[3-(aminomethyl)phenoxy]-N-(ethylcarbamoyl)propanamide

C13H19N3O3 — CID 43115860

IUPAC2-[3-(aminomethyl)phenoxy]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)Oc1cccc(CN)c1
InChIInChI=1S/C13H19N3O3/c1-3-15-13(18)16-12(17)9(2)19-11-6-4-5-10(7-11)8-14/h4-7,9H,3,8,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyXXNGMNOVHXLOGV-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.76
Rot. Bonds5

About 2-[3-(aminomethyl)phenoxy]-N-(ethylcarbamoyl)propanamide

2-[3-(aminomethyl)phenoxy]-N-(ethylcarbamoyl)propanamide (PubChem CID 43115860) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[3-(aminomethyl)phenoxy]-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)phenoxy]-N-(ethylcarbamoyl)propanamide
PubChem CID43115860
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[3-(aminomethyl)phenoxy]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)Oc1cccc(CN)c1
InChIInChI=1S/C13H19N3O3/c1-3-15-13(18)16-12(17)9(2)19-11-6-4-5-10(7-11)8-14/h4-7,9H,3,8,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyXXNGMNOVHXLOGV-UHFFFAOYSA-N
XLogP0.76
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(aminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 43115863
2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(ethylcarbamoyl)propanamide
CID 103565959
2-[5-(aminomethyl)-2-methylphenoxy]-N-(ethylcarbamoyl)propanamide
CID 107655961
2-[3-(2-aminopropyl)phenoxy]-N-ethylpropanamide
CID 54928983
[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenoxypropanoate
CID 8791134
N-(ethylcarbamoyl)-2-[4-(hydroxymethyl)phenoxy]propanamide
CID 43082829
2-[2-(aminomethyl)-3-chlorophenoxy]-N-(ethylcarbamoyl)propanamide
CID 114318401
N-(ethylcarbamoyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 60623989
N-(ethylcarbamoyl)-2-[4-(2-oxopropyl)phenoxy]propanamide
CID 115495454
N-(ethylcarbamoyl)-2-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide
CID 63364090
2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(ethylcarbamoyl)propanamide
CID 107718569
methyl 4-[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoate
CID 2103321

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)phenoxy]-N-(ethylcarbamoyl)propanamide?
The IUPAC name of 2-[3-(aminomethyl)phenoxy]-N-(ethylcarbamoyl)propanamide (CID 43115860) is 2-[3-(aminomethyl)phenoxy]-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for 2-[3-(aminomethyl)phenoxy]-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for 2-[3-(aminomethyl)phenoxy]-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)C(C)Oc1cccc(CN)c1.
What is the InChIKey of 2-[3-(aminomethyl)phenoxy]-N-(ethylcarbamoyl)propanamide?
The InChIKey is XXNGMNOVHXLOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-15-13(18)16-12(17)9(2)19-11-6-4-5-10(7-11)8-14/h4-7,9H,3,8,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-[3-(aminomethyl)phenoxy]-N-(ethylcarbamoyl)propanamide?
2-[3-(aminomethyl)phenoxy]-N-(ethylcarbamoyl)propanamide has a molecular weight of 265.31 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)phenoxy]-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 43115860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).