2-[5-(aminomethyl)-2-methoxyphenoxy]-N-(methylcarbamoyl)propanamide

C13H19N3O4 — CID 43122504

IUPAC2-[5-(aminomethyl)-2-methoxyphenoxy]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)Oc1cc(CN)ccc1OC
InChIInChI=1S/C13H19N3O4/c1-8(12(17)16-13(18)15-2)20-11-6-9(7-14)4-5-10(11)19-3/h4-6,8H,7,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyANSMCUSGFCWKEO-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.38
Rot. Bonds5

About 2-[5-(aminomethyl)-2-methoxyphenoxy]-N-(methylcarbamoyl)propanamide

2-[5-(aminomethyl)-2-methoxyphenoxy]-N-(methylcarbamoyl)propanamide (PubChem CID 43122504) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-2-methoxyphenoxy]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[5-(aminomethyl)-2-methoxyphenoxy]-N-(methylcarbamoyl)propanamide
PubChem CID43122504
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-[5-(aminomethyl)-2-methoxyphenoxy]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)Oc1cc(CN)ccc1OC
InChIInChI=1S/C13H19N3O4/c1-8(12(17)16-13(18)15-2)20-11-6-9(7-14)4-5-10(11)19-3/h4-6,8H,7,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyANSMCUSGFCWKEO-UHFFFAOYSA-N
XLogP0.38
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(aminomethyl)-2-methoxyphenoxy]-N-pentan-3-ylpropanamide
CID 43122490
4-methoxy-3-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43117185
2-[3-(aminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 43115863
2-[2-(aminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 43115833
2-[5-(aminomethyl)-2-methylphenoxy]-N-(ethylcarbamoyl)propanamide
CID 107655961
2-[4-(aminomethyl)-2-methoxyphenoxy]-N-prop-2-ynylpropanamide
CID 60878492
2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N-methylpropanamide
CID 43278792
2-[4-(aminomethyl)-2-chlorophenoxy]-N-methylpropanamide
CID 61389158
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-propan-2-ylpropanamide
CID 60905217
2-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]-N-methylpropanamide
CID 63057446
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)propanamide
CID 60904983
2-[2-methoxy-4-(methylaminomethyl)phenoxy]propanamide
CID 43278556

Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-2-methoxyphenoxy]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[5-(aminomethyl)-2-methoxyphenoxy]-N-(methylcarbamoyl)propanamide (CID 43122504) is 2-[5-(aminomethyl)-2-methoxyphenoxy]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[5-(aminomethyl)-2-methoxyphenoxy]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[5-(aminomethyl)-2-methoxyphenoxy]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)Oc1cc(CN)ccc1OC.
What is the InChIKey of 2-[5-(aminomethyl)-2-methoxyphenoxy]-N-(methylcarbamoyl)propanamide?
The InChIKey is ANSMCUSGFCWKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-8(12(17)16-13(18)15-2)20-11-6-9(7-14)4-5-10(11)19-3/h4-6,8H,7,14H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 2-[5-(aminomethyl)-2-methoxyphenoxy]-N-(methylcarbamoyl)propanamide?
2-[5-(aminomethyl)-2-methoxyphenoxy]-N-(methylcarbamoyl)propanamide has a molecular weight of 281.31 g/mol, XLogP of 0.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-2-methoxyphenoxy]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 43122504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).