2-[2-(aminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide

C12H17N3O3 — CID 43115833

IUPAC2-[2-(aminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)Oc1ccccc1CN
InChIInChI=1S/C12H17N3O3/c1-8(11(16)15-12(17)14-2)18-10-6-4-3-5-9(10)7-13/h3-6,8H,7,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyCMBISOJMALNAEG-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.37
Rot. Bonds4

About 2-[2-(aminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide

2-[2-(aminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide (PubChem CID 43115833) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide
PubChem CID43115833
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-[2-(aminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)Oc1ccccc1CN
InChIInChI=1S/C12H17N3O3/c1-8(11(16)15-12(17)14-2)18-10-6-4-3-5-9(10)7-13/h3-6,8H,7,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyCMBISOJMALNAEG-UHFFFAOYSA-N
XLogP0.37
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-hydroxyethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 107713094
N-(methylcarbamoyl)-2-(2-methylphenoxy)propanamide
CID 60625654
(2R)-2-(2-chlorophenoxy)-N-(methylcarbamoyl)propanamide
CID 7815932
2-[2-(1-aminopropyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 43116458
2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43084667
(2R)-N-(methylcarbamoyl)-2-(2-phenylphenoxy)propanamide
CID 7986963
(2S)-2-(2-ethylphenoxy)-N-methylpropanamide
CID 28577058
2-[3-(aminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 43115863
2-[5-(aminomethyl)-2-methoxyphenoxy]-N-(methylcarbamoyl)propanamide
CID 43122504
2-[4-fluoro-2-(methylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 107695387
2-fluoro-6-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 107013997
2-[4-bromo-2-(ethylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 43277501

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[2-(aminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide (CID 43115833) is 2-[2-(aminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[2-(aminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)Oc1ccccc1CN.
What is the InChIKey of 2-[2-(aminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide?
The InChIKey is CMBISOJMALNAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8(11(16)15-12(17)14-2)18-10-6-4-3-5-9(10)7-13/h3-6,8H,7,13H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-[2-(aminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide?
2-[2-(aminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide has a molecular weight of 251.29 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 43115833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).