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

C14H21N3O3 — CID 61093681

IUPACN-(2-amino-2-oxoethyl)-3-(3-aminophenoxy)-N-propan-2-ylpropanamide
SMILESCC(C)N(CC(N)=O)C(=O)CCOc1cccc(N)c1
InChIInChI=1S/C14H21N3O3/c1-10(2)17(9-13(16)18)14(19)6-7-20-12-5-3-4-11(15)8-12/h3-5,8,10H,6-7,9,15H2,1-2H3,(H2,16,18)
InChIKeyYNUIWKWGKBPKJB-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.76
Rot. Bonds7

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

N-(2-amino-2-oxoethyl)-3-(3-aminophenoxy)-N-propan-2-ylpropanamide (PubChem CID 61093681) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-(3-aminophenoxy)-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-(3-aminophenoxy)-N-propan-2-ylpropanamide
PubChem CID61093681
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-(2-amino-2-oxoethyl)-3-(3-aminophenoxy)-N-propan-2-ylpropanamide
SMILESCC(C)N(CC(N)=O)C(=O)CCOc1cccc(N)c1
InChIInChI=1S/C14H21N3O3/c1-10(2)17(9-13(16)18)14(19)6-7-20-12-5-3-4-11(15)8-12/h3-5,8,10H,6-7,9,15H2,1-2H3,(H2,16,18)
InChIKeyYNUIWKWGKBPKJB-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'}

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Related Compounds

2-[[2-(3-aminophenoxy)acetyl]-propan-2-ylamino]acetamide
CID 61093485
3-(3-aminophenoxy)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide
CID 61094495
N-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)-N-propan-2-ylpropanamide
CID 61093679
3-(3-aminophenoxy)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 61138990
2-[3-(3-bromophenoxy)propanoyl-propan-2-ylamino]acetic acid
CID 60832392
3-(3-aminophenoxy)-N-(2-cyanopropyl)-N-methylpropanamide
CID 61116829
[3-(dimethylamino)-3-oxopropyl] 2-(3-aminophenoxy)acetate
CID 61322470
3-(3-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide
CID 61128112
3-(3-aminophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)propanamide
CID 61118042
3-(3-aminophenoxy)-N-butyl-N-methylpropanamide
CID 61091184
3-amino-N-(2-amino-2-oxoethyl)-N-propan-2-ylbenzamide
CID 43572610
3-[3-[methyl(propan-2-yl)amino]propoxy]aniline
CID 43365525

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-(3-aminophenoxy)-N-propan-2-ylpropanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-(3-aminophenoxy)-N-propan-2-ylpropanamide (CID 61093681) is N-(2-amino-2-oxoethyl)-3-(3-aminophenoxy)-N-propan-2-ylpropanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-(3-aminophenoxy)-N-propan-2-ylpropanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-(3-aminophenoxy)-N-propan-2-ylpropanamide is CC(C)N(CC(N)=O)C(=O)CCOc1cccc(N)c1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-(3-aminophenoxy)-N-propan-2-ylpropanamide?
The InChIKey is YNUIWKWGKBPKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10(2)17(9-13(16)18)14(19)6-7-20-12-5-3-4-11(15)8-12/h3-5,8,10H,6-7,9,15H2,1-2H3,(H2,16,18).
What are the key properties of N-(2-amino-2-oxoethyl)-3-(3-aminophenoxy)-N-propan-2-ylpropanamide?
N-(2-amino-2-oxoethyl)-3-(3-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-(3-aminophenoxy)-N-propan-2-ylpropanamide is sourced from PubChem (CID 61093681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).