N-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)propanamide

C11H15N3O3 — CID 61091283

IUPACN-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)propanamide
SMILESNC(=O)CNC(=O)CCOc1ccccc1N
InChIInChI=1S/C11H15N3O3/c12-8-3-1-2-4-9(8)17-6-5-11(16)14-7-10(13)15/h1-4H,5-7,12H2,(H2,13,15)(H,14,16)
InChIKeyCVCORWJZJXUARY-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.36
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)propanamide

N-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)propanamide (PubChem CID 61091283) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)propanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)propanamide
PubChem CID61091283
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC NameN-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)propanamide
SMILESNC(=O)CNC(=O)CCOc1ccccc1N
InChIInChI=1S/C11H15N3O3/c12-8-3-1-2-4-9(8)17-6-5-11(16)14-7-10(13)15/h1-4H,5-7,12H2,(H2,13,15)(H,14,16)
InChIKeyCVCORWJZJXUARY-UHFFFAOYSA-N
XLogP-0.36
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 ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminophenoxy)propanamide
CID 39869131
methyl 3-[3-(2-aminophenoxy)propanoylamino]propanoate
CID 61104247
3-(2-aminophenoxy)-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 65103822
3-(2-aminophenoxy)-N-pentylpropanamide
CID 61090081
(3-amino-3-oxopropyl) 3-(2-aminophenoxy)propanoate
CID 61314280
3-(2-aminophenoxy)-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 61283637
3-[3-(2-aminophenoxy)propanoylamino]-N,2,2-trimethylpropanamide
CID 106274654
3-(2-aminophenoxy)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 62636073
4-[[2-(2-aminophenoxy)acetyl]amino]butanamide
CID 60865173
[3-(ethylamino)-3-oxopropyl] 2-(2-aminophenoxy)acetate
CID 55060432
3-(2-aminophenoxy)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 106391378
N-(2-amino-2-oxoethyl)-3-(4-methylphenoxy)propanamide
CID 9295558

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)propanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)propanamide (CID 61091283) is N-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)propanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)propanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)propanamide is NC(=O)CNC(=O)CCOc1ccccc1N.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)propanamide?
The InChIKey is CVCORWJZJXUARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c12-8-3-1-2-4-9(8)17-6-5-11(16)14-7-10(13)15/h1-4H,5-7,12H2,(H2,13,15)(H,14,16).
What are the key properties of N-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)propanamide?
N-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)propanamide has a molecular weight of 237.26 g/mol, XLogP of -0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)propanamide is sourced from PubChem (CID 61091283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).