N-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)-N-propan-2-ylpropanamide

C14H21N3O3 — CID 61093679

IUPACN-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)-N-propan-2-ylpropanamide
SMILESCC(C)N(CC(N)=O)C(=O)CCOc1ccccc1N
InChIInChI=1S/C14H21N3O3/c1-10(2)17(9-13(16)18)14(19)7-8-20-12-6-4-3-5-11(12)15/h3-6,10H,7-9,15H2,1-2H3,(H2,16,18)
InChIKeyCSQKPTAQLZAHRF-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.76
Rot. Bonds7

About N-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)-N-propan-2-ylpropanamide

N-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)-N-propan-2-ylpropanamide (PubChem CID 61093679) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)-N-propan-2-ylpropanamide
PubChem CID61093679
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)-N-propan-2-ylpropanamide
SMILESCC(C)N(CC(N)=O)C(=O)CCOc1ccccc1N
InChIInChI=1S/C14H21N3O3/c1-10(2)17(9-13(16)18)14(19)7-8-20-12-6-4-3-5-11(12)15/h3-6,10H,7-9,15H2,1-2H3,(H2,16,18)
InChIKeyCSQKPTAQLZAHRF-UHFFFAOYSA-N
XLogP0.76
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)-N-propan-2-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-2-oxoethyl)-3-(3-aminophenoxy)-N-propan-2-ylpropanamide
CID 61093681
3-(2-aminophenoxy)propanamide
CID 39869131
3-(2-aminophenoxy)-N-(1-hydroxypropan-2-yl)-N-methylpropanamide
CID 113425868
3-(2-aminophenoxy)-N-methyl-N-(3-methylbutyl)propanamide
CID 61109535
2-(2-aminophenoxy)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 61109635
2-[4-(2-methylphenoxy)butanoyl-propan-2-ylamino]acetic acid
CID 60832572
(3-amino-3-oxopropyl) 3-(2-aminophenoxy)propanoate
CID 61314280
N-(2-amino-2-oxoethyl)-3-(4-aminophenyl)-N-propan-2-ylpropanamide
CID 54980107
[1-(dimethylamino)-1-oxopropan-2-yl] 3-(2-aminophenoxy)propanoate
CID 61316741
3-(2-aminophenoxy)-N-cyclopropyl-N-ethylpropanamide
CID 61095746
3-amino-N-(2-amino-2-oxoethyl)-4-ethoxy-N-propan-2-ylbenzamide
CID 61093294
2-[3-(2-aminophenoxy)propyl-propan-2-ylamino]ethanol
CID 54996120

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)-N-propan-2-ylpropanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)-N-propan-2-ylpropanamide (CID 61093679) is N-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)-N-propan-2-ylpropanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)-N-propan-2-ylpropanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)-N-propan-2-ylpropanamide is CC(C)N(CC(N)=O)C(=O)CCOc1ccccc1N.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)-N-propan-2-ylpropanamide?
The InChIKey is CSQKPTAQLZAHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10(2)17(9-13(16)18)14(19)7-8-20-12-6-4-3-5-11(12)15/h3-6,10H,7-9,15H2,1-2H3,(H2,16,18).
What are the key properties of N-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)-N-propan-2-ylpropanamide?
N-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)-N-propan-2-ylpropanamide has a molecular weight of 279.34 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 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)-N-propan-2-ylpropanamide is sourced from PubChem (CID 61093679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).