(E)-3-(4-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide

C12H16N2O2 — CID 107218565

IUPAC(E)-3-(4-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide
SMILESC[C@H](CO)NC(=O)/C=C/c1ccc(N)cc1
InChIInChI=1S/C12H16N2O2/c1-9(8-15)14-12(16)7-4-10-2-5-11(13)6-3-10/h2-7,9,15H,8,13H2,1H3,(H,14,16)/b7-4+/t9-/m1/s1
InChIKeyBDYMASPWMWHZEK-ILFKPUCNSA-N
MW220.27 g/mol
LogP0.78
Rot. Bonds4

About (E)-3-(4-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide

(E)-3-(4-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide (PubChem CID 107218565) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide
PubChem CID107218565
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(E)-3-(4-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide
SMILESC[C@H](CO)NC(=O)/C=C/c1ccc(N)cc1
InChIInChI=1S/C12H16N2O2/c1-9(8-15)14-12(16)7-4-10-2-5-11(13)6-3-10/h2-7,9,15H,8,13H2,1H3,(H,14,16)/b7-4+/t9-/m1/s1
InChIKeyBDYMASPWMWHZEK-ILFKPUCNSA-N
XLogP0.78
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-aminophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]prop-2-enamide
CID 113290988
N-[(2S)-1-hydroxypropan-2-yl]-3-phenylprop-2-enamide
CID 79023633
(E)-N-(1-hydroxypropan-2-yl)-3-phenylprop-2-enamide
CID 6434086
(E)-3-(4-aminophenyl)-N-[1-(dimethylamino)propan-2-yl]prop-2-enamide
CID 82944929
(E)-3-(4-aminophenyl)-N-heptan-2-ylprop-2-enamide
CID 115342931
(E)-3-(4-acetamidophenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide
CID 78857373
(E)-3-(4-aminophenyl)-N-[1-(diethylamino)propan-2-yl]prop-2-enamide
CID 115343884
(E)-3-(4-aminophenyl)-N-(1-phenylpropan-2-yl)prop-2-enamide
CID 115344062
(E)-3-(4-aminophenyl)-N-(1-ethoxypropan-2-yl)prop-2-enamide
CID 113290911
(E)-3-(4-aminophenyl)-N-(2-methylpentan-3-yl)prop-2-enamide
CID 113290901
(E)-3-(2,5-diaminophenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide;hydrochloride
CID 23431721
(E)-3-(5-amino-2-hydroxyphenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide
CID 22034679

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide?
The IUPAC name of (E)-3-(4-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide (CID 107218565) is (E)-3-(4-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide is C[C@H](CO)NC(=O)/C=C/c1ccc(N)cc1.
What is the InChIKey of (E)-3-(4-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide?
The InChIKey is BDYMASPWMWHZEK-ILFKPUCNSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9(8-15)14-12(16)7-4-10-2-5-11(13)6-3-10/h2-7,9,15H,8,13H2,1H3,(H,14,16)/b7-4+/t9-/m1/s1.
What are the key properties of (E)-3-(4-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide?
(E)-3-(4-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide has a molecular weight of 220.27 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide is sourced from PubChem (CID 107218565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).