2-[4-(methylaminomethyl)phenoxy]-N-(propan-2-ylcarbamoyl)acetamide

C14H21N3O3 — CID 106486259

IUPAC2-[4-(methylaminomethyl)phenoxy]-N-(propan-2-ylcarbamoyl)acetamide
SMILESCNCc1ccc(OCC(=O)NC(=O)NC(C)C)cc1
InChIInChI=1S/C14H21N3O3/c1-10(2)16-14(19)17-13(18)9-20-12-6-4-11(5-7-12)8-15-3/h4-7,10,15H,8-9H2,1-3H3,(H2,16,17,18,19)
InChIKeyYMFLUARAVQWMTJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.02
Rot. Bonds6

About 2-[4-(methylaminomethyl)phenoxy]-N-(propan-2-ylcarbamoyl)acetamide

2-[4-(methylaminomethyl)phenoxy]-N-(propan-2-ylcarbamoyl)acetamide (PubChem CID 106486259) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[4-(methylaminomethyl)phenoxy]-N-(propan-2-ylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-(methylaminomethyl)phenoxy]-N-(propan-2-ylcarbamoyl)acetamide
PubChem CID106486259
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[4-(methylaminomethyl)phenoxy]-N-(propan-2-ylcarbamoyl)acetamide
SMILESCNCc1ccc(OCC(=O)NC(=O)NC(C)C)cc1
InChIInChI=1S/C14H21N3O3/c1-10(2)16-14(19)17-13(18)9-20-12-6-4-11(5-7-12)8-15-3/h4-7,10,15H,8-9H2,1-3H3,(H2,16,17,18,19)
InChIKeyYMFLUARAVQWMTJ-UHFFFAOYSA-N
XLogP1.02
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
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-[4-[2-oxo-2-(propan-2-ylcarbamoylamino)ethoxy]phenyl]acetic acid
CID 43214810
2-[4-(methylaminomethyl)phenoxy]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 106486250
2-[4-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide
CID 61486986
2-[4-[(2-methylpropylamino)methyl]phenoxy]-N-propan-2-ylacetamide
CID 63062886
2-(4-chlorophenoxy)-N-[[4-(methylaminomethyl)phenyl]methyl]acetamide
CID 170046008
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4-chlorophenoxy)acetate
CID 2521079
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate
CID 7734994
2-[4-[3-(methylamino)butyl]phenoxy]-N-propan-2-ylacetamide
CID 43279744
N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-methylphenoxy)acetamide
CID 7817259
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4-methoxyphenyl)acetate
CID 2519882
[2-(methylcarbamoylamino)-2-oxoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate
CID 7734953
2-(4-anilinophenoxy)-N-[4-(methylaminomethyl)phenyl]acetamide
CID 166371906

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylaminomethyl)phenoxy]-N-(propan-2-ylcarbamoyl)acetamide?
The IUPAC name of 2-[4-(methylaminomethyl)phenoxy]-N-(propan-2-ylcarbamoyl)acetamide (CID 106486259) is 2-[4-(methylaminomethyl)phenoxy]-N-(propan-2-ylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-(methylaminomethyl)phenoxy]-N-(propan-2-ylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-(methylaminomethyl)phenoxy]-N-(propan-2-ylcarbamoyl)acetamide is CNCc1ccc(OCC(=O)NC(=O)NC(C)C)cc1.
What is the InChIKey of 2-[4-(methylaminomethyl)phenoxy]-N-(propan-2-ylcarbamoyl)acetamide?
The InChIKey is YMFLUARAVQWMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10(2)16-14(19)17-13(18)9-20-12-6-4-11(5-7-12)8-15-3/h4-7,10,15H,8-9H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-[4-(methylaminomethyl)phenoxy]-N-(propan-2-ylcarbamoyl)acetamide?
2-[4-(methylaminomethyl)phenoxy]-N-(propan-2-ylcarbamoyl)acetamide has a molecular weight of 279.34 g/mol, XLogP of 1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylaminomethyl)phenoxy]-N-(propan-2-ylcarbamoyl)acetamide is sourced from PubChem (CID 106486259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).