2-[3-(1-aminoethyl)phenoxy]-N-prop-2-enylpropanamide

C14H20N2O2 — CID 60878639

IUPAC2-[3-(1-aminoethyl)phenoxy]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Oc1cccc(C(C)N)c1
InChIInChI=1S/C14H20N2O2/c1-4-8-16-14(17)11(3)18-13-7-5-6-12(9-13)10(2)15/h4-7,9-11H,1,8,15H2,2-3H3,(H,16,17)
InChIKeyCBFPAOBIHSEPCK-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.78
Rot. Bonds6

About 2-[3-(1-aminoethyl)phenoxy]-N-prop-2-enylpropanamide

2-[3-(1-aminoethyl)phenoxy]-N-prop-2-enylpropanamide (PubChem CID 60878639) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[3-(1-aminoethyl)phenoxy]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[3-(1-aminoethyl)phenoxy]-N-prop-2-enylpropanamide
PubChem CID60878639
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[3-(1-aminoethyl)phenoxy]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Oc1cccc(C(C)N)c1
InChIInChI=1S/C14H20N2O2/c1-4-8-16-14(17)11(3)18-13-7-5-6-12(9-13)10(2)15/h4-7,9-11H,1,8,15H2,2-3H3,(H,16,17)
InChIKeyCBFPAOBIHSEPCK-UHFFFAOYSA-N
XLogP1.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(3-aminophenoxy)-N-prop-2-enylpropanamide
CID 93455625
2-[3-[(1S)-1-aminoethyl]phenoxy]-N-prop-2-enylacetamide
CID 55190627
2-[3-(1-aminoethyl)phenoxy]-N-methylpropanamide
CID 43116403
2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide
CID 63367423
2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide
CID 78937481
2-naphthalen-2-yloxy-N-prop-2-enylpropanamide
CID 12873693
2-[3-[(1S)-1-aminoethyl]phenoxy]-N-carbamoylpropanamide
CID 63367394
(2S)-2-(3,5-dimethylphenoxy)-N-prop-2-enylpropanamide
CID 40742748
N-(2-amino-2-phenylethyl)-2-(3-propan-2-ylphenoxy)propanamide
CID 119527740
2-(4-iodophenoxy)-N-prop-2-enylpropanamide
CID 60675232
2-[4-(2-aminoethyl)phenoxy]-N-prop-2-enylpropanamide
CID 54931120
2-(2-hydroxyphenoxy)-N-prop-2-enylpropanamide
CID 43143434

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminoethyl)phenoxy]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[3-(1-aminoethyl)phenoxy]-N-prop-2-enylpropanamide (CID 60878639) is 2-[3-(1-aminoethyl)phenoxy]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[3-(1-aminoethyl)phenoxy]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[3-(1-aminoethyl)phenoxy]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)Oc1cccc(C(C)N)c1.
What is the InChIKey of 2-[3-(1-aminoethyl)phenoxy]-N-prop-2-enylpropanamide?
The InChIKey is CBFPAOBIHSEPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-4-8-16-14(17)11(3)18-13-7-5-6-12(9-13)10(2)15/h4-7,9-11H,1,8,15H2,2-3H3,(H,16,17).
What are the key properties of 2-[3-(1-aminoethyl)phenoxy]-N-prop-2-enylpropanamide?
2-[3-(1-aminoethyl)phenoxy]-N-prop-2-enylpropanamide has a molecular weight of 248.33 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-aminoethyl)phenoxy]-N-prop-2-enylpropanamide is sourced from PubChem (CID 60878639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).