(Z)-N-[(2R)-2,3-dihydroxypropyl]-3-phenylprop-2-enamide

C12H15NO3 — CID 92526146

IUPAC(Z)-N-[(2R)-2,3-dihydroxypropyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C\c1ccccc1)NC[C@@H](O)CO
InChIInChI=1S/C12H15NO3/c14-9-11(15)8-13-12(16)7-6-10-4-2-1-3-5-10/h1-7,11,14-15H,8-9H2,(H,13,16)/b7-6-/t11-/m1/s1
InChIKeyYTKHFZPEWKKYQC-JMEBYUIHSA-N
MW221.26 g/mol
LogP0.17
Rot. Bonds5

About (Z)-N-[(2R)-2,3-dihydroxypropyl]-3-phenylprop-2-enamide

(Z)-N-[(2R)-2,3-dihydroxypropyl]-3-phenylprop-2-enamide (PubChem CID 92526146) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is (Z)-N-[(2R)-2,3-dihydroxypropyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[(2R)-2,3-dihydroxypropyl]-3-phenylprop-2-enamide
PubChem CID92526146
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name(Z)-N-[(2R)-2,3-dihydroxypropyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C\c1ccccc1)NC[C@@H](O)CO
InChIInChI=1S/C12H15NO3/c14-9-11(15)8-13-12(16)7-6-10-4-2-1-3-5-10/h1-7,11,14-15H,8-9H2,(H,13,16)/b7-6-/t11-/m1/s1
InChIKeyYTKHFZPEWKKYQC-JMEBYUIHSA-N
XLogP0.17
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tris((E)-N-[(2R)-2-hydroxybutyl]-3-phenylprop-2-enamide);hydrate
CID 139062706
(E)-3-(3-aminophenyl)-N-(2,3-dihydroxypropyl)prop-2-enamide
CID 115344489
(2S)-2-hydroxy-3-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid
CID 107832797
N-(2,3-dihydroxypropyl)-3-(4-nitrophenyl)prop-2-enamide
CID 77114099
(E)-N-(2-aminopropyl)-3-phenylprop-2-enamide
CID 63733129
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
3-(3-chloro-4-methylphenyl)-N-(2,3-dihydroxypropyl)prop-2-enamide
CID 77114123
3-(1,3-benzodioxol-5-yl)-N-(2,3-dihydroxypropyl)prop-2-enamide
CID 77114116
(2S)-2-hydroxy-4-[[(E)-3-phenylprop-2-enoyl]amino]butanoic acid
CID 107833894
[(E)-3-phenylprop-2-enoyl]carbamic acid
CID 140993183
N-[(2S)-1-hydroxypropan-2-yl]-3-phenylprop-2-enamide
CID 79023633
(E)-N-(1-hydroxypropan-2-yl)-3-phenylprop-2-enamide
CID 6434086

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(2R)-2,3-dihydroxypropyl]-3-phenylprop-2-enamide?
The IUPAC name of (Z)-N-[(2R)-2,3-dihydroxypropyl]-3-phenylprop-2-enamide (CID 92526146) is (Z)-N-[(2R)-2,3-dihydroxypropyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-N-[(2R)-2,3-dihydroxypropyl]-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-N-[(2R)-2,3-dihydroxypropyl]-3-phenylprop-2-enamide is O=C(/C=C\c1ccccc1)NC[C@@H](O)CO.
What is the InChIKey of (Z)-N-[(2R)-2,3-dihydroxypropyl]-3-phenylprop-2-enamide?
The InChIKey is YTKHFZPEWKKYQC-JMEBYUIHSA-N. The full InChI is InChI=1S/C12H15NO3/c14-9-11(15)8-13-12(16)7-6-10-4-2-1-3-5-10/h1-7,11,14-15H,8-9H2,(H,13,16)/b7-6-/t11-/m1/s1.
What are the key properties of (Z)-N-[(2R)-2,3-dihydroxypropyl]-3-phenylprop-2-enamide?
(Z)-N-[(2R)-2,3-dihydroxypropyl]-3-phenylprop-2-enamide has a molecular weight of 221.26 g/mol, XLogP of 0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(2R)-2,3-dihydroxypropyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 92526146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).