(Z)-N-[(2R)-1-hydroxybutan-2-yl]-3-phenylprop-2-enamide

C13H17NO2 — CID 92526114

IUPAC(Z)-N-[(2R)-1-hydroxybutan-2-yl]-3-phenylprop-2-enamide
SMILESCC[C@H](CO)NC(=O)/C=C\c1ccccc1
InChIInChI=1S/C13H17NO2/c1-2-12(10-15)14-13(16)9-8-11-6-4-3-5-7-11/h3-9,12,15H,2,10H2,1H3,(H,14,16)/b9-8-/t12-/m1/s1
InChIKeyHMZWQDVKGZGOKN-JLVNDZCYSA-N
MW219.28 g/mol
LogP1.59
Rot. Bonds5

About (Z)-N-[(2R)-1-hydroxybutan-2-yl]-3-phenylprop-2-enamide

(Z)-N-[(2R)-1-hydroxybutan-2-yl]-3-phenylprop-2-enamide (PubChem CID 92526114) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (Z)-N-[(2R)-1-hydroxybutan-2-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[(2R)-1-hydroxybutan-2-yl]-3-phenylprop-2-enamide
PubChem CID92526114
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(Z)-N-[(2R)-1-hydroxybutan-2-yl]-3-phenylprop-2-enamide
SMILESCC[C@H](CO)NC(=O)/C=C\c1ccccc1
InChIInChI=1S/C13H17NO2/c1-2-12(10-15)14-13(16)9-8-11-6-4-3-5-7-11/h3-9,12,15H,2,10H2,1H3,(H,14,16)/b9-8-/t12-/m1/s1
InChIKeyHMZWQDVKGZGOKN-JLVNDZCYSA-N
XLogP1.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(2R)-1-hydroxybutan-2-yl]-3-pyridin-3-ylprop-2-enamide
CID 103919982
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-(3-cyanophenyl)-N-[(2S)-1-hydroxybutan-2-yl]prop-2-enamide
CID 104981033
(E)-3-(2-fluorophenyl)-N-[(2S)-1-hydroxybutan-2-yl]prop-2-enamide
CID 93040792
(2R)-2-(3-phenylprop-2-enoylamino)butanoic acid
CID 79024008
2-(3-phenylprop-2-enoylamino)butanoic acid
CID 71386191
(E)-3-(3,5-dichlorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]prop-2-enamide
CID 113351938
N-(1,3-dihydroxypropan-2-yl)-3-(4-ethylphenyl)prop-2-enamide
CID 77064988
N-(1,3-dihydroxypropan-2-yl)-3-(3-methylphenyl)prop-2-enamide
CID 77065093
trimethyl-[1-(3-phenylprop-2-enoylamino)propyl]azanium
CID 69232874
(E)-3-(furan-2-yl)-N-(1-hydroxybutan-2-yl)prop-2-enamide
CID 43416620

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(2R)-1-hydroxybutan-2-yl]-3-phenylprop-2-enamide?
The IUPAC name of (Z)-N-[(2R)-1-hydroxybutan-2-yl]-3-phenylprop-2-enamide (CID 92526114) is (Z)-N-[(2R)-1-hydroxybutan-2-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-N-[(2R)-1-hydroxybutan-2-yl]-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-N-[(2R)-1-hydroxybutan-2-yl]-3-phenylprop-2-enamide is CC[C@H](CO)NC(=O)/C=C\c1ccccc1.
What is the InChIKey of (Z)-N-[(2R)-1-hydroxybutan-2-yl]-3-phenylprop-2-enamide?
The InChIKey is HMZWQDVKGZGOKN-JLVNDZCYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-12(10-15)14-13(16)9-8-11-6-4-3-5-7-11/h3-9,12,15H,2,10H2,1H3,(H,14,16)/b9-8-/t12-/m1/s1.
What are the key properties of (Z)-N-[(2R)-1-hydroxybutan-2-yl]-3-phenylprop-2-enamide?
(Z)-N-[(2R)-1-hydroxybutan-2-yl]-3-phenylprop-2-enamide has a molecular weight of 219.28 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(2R)-1-hydroxybutan-2-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 92526114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).