2-[3-(methylaminomethyl)phenoxy]-N-(propylcarbamoyl)acetamide

C14H21N3O3 — CID 106486086

IUPAC2-[3-(methylaminomethyl)phenoxy]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)COc1cccc(CNC)c1
InChIInChI=1S/C14H21N3O3/c1-3-7-16-14(19)17-13(18)10-20-12-6-4-5-11(8-12)9-15-2/h4-6,8,15H,3,7,9-10H2,1-2H3,(H2,16,17,18,19)
InChIKeyGAHMCTPODIKEJW-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.02
Rot. Bonds7

About 2-[3-(methylaminomethyl)phenoxy]-N-(propylcarbamoyl)acetamide

2-[3-(methylaminomethyl)phenoxy]-N-(propylcarbamoyl)acetamide (PubChem CID 106486086) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[3-(methylaminomethyl)phenoxy]-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[3-(methylaminomethyl)phenoxy]-N-(propylcarbamoyl)acetamide
PubChem CID106486086
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[3-(methylaminomethyl)phenoxy]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)COc1cccc(CNC)c1
InChIInChI=1S/C14H21N3O3/c1-3-7-16-14(19)17-13(18)10-20-12-6-4-5-11(8-12)9-15-2/h4-6,8,15H,3,7,9-10H2,1-2H3,(H2,16,17,18,19)
InChIKeyGAHMCTPODIKEJW-UHFFFAOYSA-N
XLogP1.02
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(methylaminomethyl)phenoxy]-N-propylacetamide
CID 43278288
methyl N-[2-[3-(methylaminomethyl)phenoxy]acetyl]carbamate
CID 106486093
N-methyl-2-[3-(propylaminomethyl)phenoxy]acetamide
CID 43278420
2-[3-(hydroxymethyl)phenoxy]-N-propylacetamide
CID 28561994
ethyl 2-[3-(methylaminomethyl)phenoxy]acetate
CID 60882222
2-(4-aminophenoxy)-N-(propylcarbamoyl)acetamide
CID 54908666
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(propylcarbamoyl)acetamide
CID 7642995
2-(3-chlorophenoxy)-N-propylacetamide
CID 47001598
methyl 2-[3-[2-(methylamino)ethyl]phenoxy]acetate
CID 59419918
2-(3-iodophenoxy)-N-propylacetamide
CID 60626728
2-[3-[(tert-butylamino)methyl]phenoxy]-N-ethylacetamide
CID 63057746
N-[(3-ethoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119714458

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylaminomethyl)phenoxy]-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-[3-(methylaminomethyl)phenoxy]-N-(propylcarbamoyl)acetamide (CID 106486086) is 2-[3-(methylaminomethyl)phenoxy]-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-[3-(methylaminomethyl)phenoxy]-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-[3-(methylaminomethyl)phenoxy]-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)COc1cccc(CNC)c1.
What is the InChIKey of 2-[3-(methylaminomethyl)phenoxy]-N-(propylcarbamoyl)acetamide?
The InChIKey is GAHMCTPODIKEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-7-16-14(19)17-13(18)10-20-12-6-4-5-11(8-12)9-15-2/h4-6,8,15H,3,7,9-10H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-[3-(methylaminomethyl)phenoxy]-N-(propylcarbamoyl)acetamide?
2-[3-(methylaminomethyl)phenoxy]-N-(propylcarbamoyl)acetamide has a molecular weight of 279.34 g/mol, XLogP of 1.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylaminomethyl)phenoxy]-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 106486086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).