2-[[2-[4-(aminomethyl)phenoxy]acetyl]amino]acetamide

C11H15N3O3 — CID 16774708

IUPAC2-[[2-[4-(aminomethyl)phenoxy]acetyl]amino]acetamide
SMILESNCc1ccc(OCC(=O)NCC(N)=O)cc1
InChIInChI=1S/C11H15N3O3/c12-5-8-1-3-9(4-2-8)17-7-11(16)14-6-10(13)15/h1-4H,5-7,12H2,(H2,13,15)(H,14,16)
InChIKeyJQAWDTZJDWGCKC-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.87
Rot. Bonds6

About 2-[[2-[4-(aminomethyl)phenoxy]acetyl]amino]acetamide

2-[[2-[4-(aminomethyl)phenoxy]acetyl]amino]acetamide (PubChem CID 16774708) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-[[2-[4-(aminomethyl)phenoxy]acetyl]amino]acetamide.

Molecular Properties

Compound Name2-[[2-[4-(aminomethyl)phenoxy]acetyl]amino]acetamide
PubChem CID16774708
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-[[2-[4-(aminomethyl)phenoxy]acetyl]amino]acetamide
SMILESNCc1ccc(OCC(=O)NCC(N)=O)cc1
InChIInChI=1S/C11H15N3O3/c12-5-8-1-3-9(4-2-8)17-7-11(16)14-6-10(13)15/h1-4H,5-7,12H2,(H2,13,15)(H,14,16)
InChIKeyJQAWDTZJDWGCKC-UHFFFAOYSA-N
XLogP-0.87
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-aminophenoxy)acetyl]amino]acetamide
CID 61090712
2-[[2-(4-bromophenoxy)acetyl]amino]acetamide
CID 9011663
2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-ethylacetamide
CID 43366447
2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
CID 8510054
2-[4-(aminomethyl)phenoxy]-N-(cyclopentylmethyl)acetamide
CID 43370712
2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-methylacetamide
CID 43366442
2-[4-(aminomethyl)phenoxy]-N-(2-propan-2-yloxyethyl)acetamide
CID 104758382
methyl 4-[[2-[4-(aminomethyl)phenoxy]acetyl]amino]butanoate
CID 106484765
2-[4-(aminomethyl)phenoxy]-N-[2-(methanesulfonamido)ethyl]acetamide
CID 43545869
2-[4-(aminomethyl)phenoxy]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 62525022
2-[4-(aminomethyl)phenoxy]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 62634876
2-[4-(aminomethyl)phenoxy]-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide
CID 106033671

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(aminomethyl)phenoxy]acetyl]amino]acetamide?
The IUPAC name of 2-[[2-[4-(aminomethyl)phenoxy]acetyl]amino]acetamide (CID 16774708) is 2-[[2-[4-(aminomethyl)phenoxy]acetyl]amino]acetamide.
What is the SMILES notation for 2-[[2-[4-(aminomethyl)phenoxy]acetyl]amino]acetamide?
The canonical SMILES for 2-[[2-[4-(aminomethyl)phenoxy]acetyl]amino]acetamide is NCc1ccc(OCC(=O)NCC(N)=O)cc1.
What is the InChIKey of 2-[[2-[4-(aminomethyl)phenoxy]acetyl]amino]acetamide?
The InChIKey is JQAWDTZJDWGCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c12-5-8-1-3-9(4-2-8)17-7-11(16)14-6-10(13)15/h1-4H,5-7,12H2,(H2,13,15)(H,14,16).
What are the key properties of 2-[[2-[4-(aminomethyl)phenoxy]acetyl]amino]acetamide?
2-[[2-[4-(aminomethyl)phenoxy]acetyl]amino]acetamide has a molecular weight of 237.26 g/mol, XLogP of -0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(aminomethyl)phenoxy]acetyl]amino]acetamide is sourced from PubChem (CID 16774708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).