(2R)-2-(3-aminophenoxy)-N-prop-2-enylpropanamide

C12H16N2O2 — CID 93455625

IUPAC(2R)-2-(3-aminophenoxy)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)[C@@H](C)Oc1cccc(N)c1
InChIInChI=1S/C12H16N2O2/c1-3-7-14-12(15)9(2)16-11-6-4-5-10(13)8-11/h3-6,8-9H,1,7,13H2,2H3,(H,14,15)/t9-/m1/s1
InChIKeyZFTJQGMMQOLNJE-SECBINFHSA-N
MW220.27 g/mol
LogP1.34
Rot. Bonds5

About (2R)-2-(3-aminophenoxy)-N-prop-2-enylpropanamide

(2R)-2-(3-aminophenoxy)-N-prop-2-enylpropanamide (PubChem CID 93455625) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (2R)-2-(3-aminophenoxy)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name(2R)-2-(3-aminophenoxy)-N-prop-2-enylpropanamide
PubChem CID93455625
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(2R)-2-(3-aminophenoxy)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)[C@@H](C)Oc1cccc(N)c1
InChIInChI=1S/C12H16N2O2/c1-3-7-14-12(15)9(2)16-11-6-4-5-10(13)8-11/h3-6,8-9H,1,7,13H2,2H3,(H,14,15)/t9-/m1/s1
InChIKeyZFTJQGMMQOLNJE-SECBINFHSA-N
XLogP1.34
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(1-aminoethyl)phenoxy]-N-prop-2-enylpropanamide
CID 60878639
(2S)-2-(3,5-dimethylphenoxy)-N-prop-2-enylpropanamide
CID 40742748
2-naphthalen-2-yloxy-N-prop-2-enylpropanamide
CID 12873693
(2R)-2-(3-aminophenoxy)-N-methylpropanamide
CID 28908554
2-(4-iodophenoxy)-N-prop-2-enylpropanamide
CID 60675232
2-(3-aminophenyl)sulfanyl-N-prop-2-enylpropanamide
CID 79134025
2-[4-(2-aminoethyl)phenoxy]-N-prop-2-enylpropanamide
CID 54931120
2-(2-hydroxyphenoxy)-N-prop-2-enylpropanamide
CID 43143434
2-(3-aminophenoxy)propanamide
CID 43115971
2-(3-chloro-2-formylphenoxy)-N-prop-2-enylpropanamide
CID 60791308
1-[2-(3-chlorophenoxy)propanoylamino]-3-prop-2-enylthiourea
CID 17371318
2-(3-aminophenoxy)-N-(prop-2-enylcarbamoyl)acetamide
CID 54908616

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-aminophenoxy)-N-prop-2-enylpropanamide?
The IUPAC name of (2R)-2-(3-aminophenoxy)-N-prop-2-enylpropanamide (CID 93455625) is (2R)-2-(3-aminophenoxy)-N-prop-2-enylpropanamide.
What is the SMILES notation for (2R)-2-(3-aminophenoxy)-N-prop-2-enylpropanamide?
The canonical SMILES for (2R)-2-(3-aminophenoxy)-N-prop-2-enylpropanamide is C=CCNC(=O)[C@@H](C)Oc1cccc(N)c1.
What is the InChIKey of (2R)-2-(3-aminophenoxy)-N-prop-2-enylpropanamide?
The InChIKey is ZFTJQGMMQOLNJE-SECBINFHSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-7-14-12(15)9(2)16-11-6-4-5-10(13)8-11/h3-6,8-9H,1,7,13H2,2H3,(H,14,15)/t9-/m1/s1.
What are the key properties of (2R)-2-(3-aminophenoxy)-N-prop-2-enylpropanamide?
(2R)-2-(3-aminophenoxy)-N-prop-2-enylpropanamide has a molecular weight of 220.27 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-aminophenoxy)-N-prop-2-enylpropanamide is sourced from PubChem (CID 93455625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).