3-(4-aminophenoxy)-N,N-bis(prop-2-enyl)propanamide

C15H20N2O2 — CID 61117568

IUPAC3-(4-aminophenoxy)-N,N-bis(prop-2-enyl)propanamide
SMILESC=CCN(CC=C)C(=O)CCOc1ccc(N)cc1
InChIInChI=1S/C15H20N2O2/c1-3-10-17(11-4-2)15(18)9-12-19-14-7-5-13(16)6-8-14/h3-8H,1-2,9-12,16H2
InChIKeyXXKSLMYDCASZBI-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.24
Rot. Bonds8

About 3-(4-aminophenoxy)-N,N-bis(prop-2-enyl)propanamide

3-(4-aminophenoxy)-N,N-bis(prop-2-enyl)propanamide (PubChem CID 61117568) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-(4-aminophenoxy)-N,N-bis(prop-2-enyl)propanamide.

Molecular Properties

Compound Name3-(4-aminophenoxy)-N,N-bis(prop-2-enyl)propanamide
PubChem CID61117568
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-(4-aminophenoxy)-N,N-bis(prop-2-enyl)propanamide
SMILESC=CCN(CC=C)C(=O)CCOc1ccc(N)cc1
InChIInChI=1S/C15H20N2O2/c1-3-10-17(11-4-2)15(18)9-12-19-14-7-5-13(16)6-8-14/h3-8H,1-2,9-12,16H2
InChIKeyXXKSLMYDCASZBI-UHFFFAOYSA-N
XLogP2.24
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-aminophenoxy)-N-methyl-N-(2-methylprop-2-enyl)propanamide
CID 113498542
3-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide
CID 61127921
2-(4-aminophenyl)-N,N-bis(prop-2-enyl)acetamide
CID 24699849
3-(4-aminophenoxy)-N-benzyl-N-methylpropanamide
CID 61089874
3-(4-aminophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 61115959
3-(4-aminophenoxy)-N-methyl-N-(3-methylbutan-2-yl)propanamide
CID 61093094
4-(2-methoxyethoxy)-N,N-bis(prop-2-enyl)benzamide
CID 17353510
N-ethyl-4-phenoxy-N-prop-2-enylbutanamide
CID 84558793
3-(2-aminophenoxy)-N-(2-methoxyethyl)-N-prop-2-enylpropanamide
CID 103338330
3-(4-aminophenoxy)-N-[3-(dimethylamino)propyl]-N-methylpropanamide
CID 63694079
4-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]benzoic acid
CID 43214193
3-(4-aminophenoxy)-N-methyl-N-(thiophen-3-ylmethyl)propanamide
CID 61093832

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenoxy)-N,N-bis(prop-2-enyl)propanamide?
The IUPAC name of 3-(4-aminophenoxy)-N,N-bis(prop-2-enyl)propanamide (CID 61117568) is 3-(4-aminophenoxy)-N,N-bis(prop-2-enyl)propanamide.
What is the SMILES notation for 3-(4-aminophenoxy)-N,N-bis(prop-2-enyl)propanamide?
The canonical SMILES for 3-(4-aminophenoxy)-N,N-bis(prop-2-enyl)propanamide is C=CCN(CC=C)C(=O)CCOc1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenoxy)-N,N-bis(prop-2-enyl)propanamide?
The InChIKey is XXKSLMYDCASZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-10-17(11-4-2)15(18)9-12-19-14-7-5-13(16)6-8-14/h3-8H,1-2,9-12,16H2.
What are the key properties of 3-(4-aminophenoxy)-N,N-bis(prop-2-enyl)propanamide?
3-(4-aminophenoxy)-N,N-bis(prop-2-enyl)propanamide has a molecular weight of 260.34 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenoxy)-N,N-bis(prop-2-enyl)propanamide is sourced from PubChem (CID 61117568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).