3-[[2-(4-aminophenoxy)acetyl]amino]-N,N-dimethylpropanamide

C13H19N3O3 — CID 61103897

IUPAC3-[[2-(4-aminophenoxy)acetyl]amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNC(=O)COc1ccc(N)cc1
InChIInChI=1S/C13H19N3O3/c1-16(2)13(18)7-8-15-12(17)9-19-11-5-3-10(14)4-6-11/h3-6H,7-9,14H2,1-2H3,(H,15,17)
InChIKeyBPKQNCNXBYBLCF-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.24
Rot. Bonds6

About 3-[[2-(4-aminophenoxy)acetyl]amino]-N,N-dimethylpropanamide

3-[[2-(4-aminophenoxy)acetyl]amino]-N,N-dimethylpropanamide (PubChem CID 61103897) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[[2-(4-aminophenoxy)acetyl]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[[2-(4-aminophenoxy)acetyl]amino]-N,N-dimethylpropanamide
PubChem CID61103897
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-[[2-(4-aminophenoxy)acetyl]amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNC(=O)COc1ccc(N)cc1
InChIInChI=1S/C13H19N3O3/c1-16(2)13(18)7-8-15-12(17)9-19-11-5-3-10(14)4-6-11/h3-6H,7-9,14H2,1-2H3,(H,15,17)
InChIKeyBPKQNCNXBYBLCF-UHFFFAOYSA-N
XLogP0.24
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenoxy)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide
CID 106033043
3-[[2-(4-aminophenoxy)acetyl]amino]-N-cyclopropylpropanamide
CID 79385591
N-[2-(4-aminophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 39384693
ethyl 2-[[2-(4-aminophenoxy)acetyl]amino]acetate
CID 61102333
2-(4-aminophenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 114464873
4-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide;hydrochloride
CID 119731255
2-(4-aminophenoxy)-N-(2,2-dimethylpropyl)acetamide
CID 61168038
2-[[2-(4-aminophenoxy)acetyl]amino]acetamide
CID 61090712
2-(4-aminophenoxy)-N-[[1-(dimethylamino)cyclopentyl]methyl]acetamide
CID 83107877
2-(4-aminophenoxy)-N-(propylcarbamoyl)acetamide
CID 54908666
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-aminophenoxy)acetate
CID 61485546
2-(4-aminophenoxy)-N-[(4-ethylphenyl)methyl]acetamide
CID 106899089

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-aminophenoxy)acetyl]amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[[2-(4-aminophenoxy)acetyl]amino]-N,N-dimethylpropanamide (CID 61103897) is 3-[[2-(4-aminophenoxy)acetyl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[[2-(4-aminophenoxy)acetyl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[[2-(4-aminophenoxy)acetyl]amino]-N,N-dimethylpropanamide is CN(C)C(=O)CCNC(=O)COc1ccc(N)cc1.
What is the InChIKey of 3-[[2-(4-aminophenoxy)acetyl]amino]-N,N-dimethylpropanamide?
The InChIKey is BPKQNCNXBYBLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-16(2)13(18)7-8-15-12(17)9-19-11-5-3-10(14)4-6-11/h3-6H,7-9,14H2,1-2H3,(H,15,17).
What are the key properties of 3-[[2-(4-aminophenoxy)acetyl]amino]-N,N-dimethylpropanamide?
3-[[2-(4-aminophenoxy)acetyl]amino]-N,N-dimethylpropanamide has a molecular weight of 265.31 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-aminophenoxy)acetyl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 61103897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).