N-[(3R)-3-hydroxy-3-phenylpropyl]prop-2-enamide

C12H15NO2 — CID 166414439

IUPACN-[(3R)-3-hydroxy-3-phenylpropyl]prop-2-enamide
SMILESC=CC(=O)NCC[C@@H](O)c1ccccc1
InChIInChI=1S/C12H15NO2/c1-2-12(15)13-9-8-11(14)10-6-4-3-5-7-10/h2-7,11,14H,1,8-9H2,(H,13,15)/t11-/m1/s1
InChIKeyMBDKTXYZAVYCDY-LLVKDONJSA-N
MW205.26 g/mol
LogP1.41
Rot. Bonds5

About N-[(3R)-3-hydroxy-3-phenylpropyl]prop-2-enamide

N-[(3R)-3-hydroxy-3-phenylpropyl]prop-2-enamide (PubChem CID 166414439) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-[(3R)-3-hydroxy-3-phenylpropyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(3R)-3-hydroxy-3-phenylpropyl]prop-2-enamide
PubChem CID166414439
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-[(3R)-3-hydroxy-3-phenylpropyl]prop-2-enamide
SMILESC=CC(=O)NCC[C@@H](O)c1ccccc1
InChIInChI=1S/C12H15NO2/c1-2-12(15)13-9-8-11(14)10-6-4-3-5-7-10/h2-7,11,14H,1,8-9H2,(H,13,15)/t11-/m1/s1
InChIKeyMBDKTXYZAVYCDY-LLVKDONJSA-N
XLogP1.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.41
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

N-(3-hydroxy-3-phenylpropyl)-N'-prop-2-enyloxamide
CID 90499658
N-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721
methyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
CID 58297917
2,2,2-trifluoro-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 76624652
4-hydroxy-4-phenyl-N-prop-2-enylbutanamide
CID 112509842
N-ethyl-N'-(3-hydroxy-3-phenylpropyl)butanediamide
CID 111472033
N-(3-hydroxy-3-phenylpropyl)butanamide;propane
CID 143470750
N-(3-hydroxy-3-phenylpropyl)-2-phenylsulfanylacetamide
CID 111471528
1-(3-hydroxy-3-phenylpropyl)-3-pent-3-enylurea
CID 111481680
benzyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
CID 125117230
4-tert-butyl-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide
CID 97038568
N-[(3S)-3-hydroxy-3-phenylpropyl]naphthalene-1-carboxamide
CID 97038566

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-hydroxy-3-phenylpropyl]prop-2-enamide?
The IUPAC name of N-[(3R)-3-hydroxy-3-phenylpropyl]prop-2-enamide (CID 166414439) is N-[(3R)-3-hydroxy-3-phenylpropyl]prop-2-enamide.
What is the SMILES notation for N-[(3R)-3-hydroxy-3-phenylpropyl]prop-2-enamide?
The canonical SMILES for N-[(3R)-3-hydroxy-3-phenylpropyl]prop-2-enamide is C=CC(=O)NCC[C@@H](O)c1ccccc1.
What is the InChIKey of N-[(3R)-3-hydroxy-3-phenylpropyl]prop-2-enamide?
The InChIKey is MBDKTXYZAVYCDY-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-12(15)13-9-8-11(14)10-6-4-3-5-7-10/h2-7,11,14H,1,8-9H2,(H,13,15)/t11-/m1/s1.
What are the key properties of N-[(3R)-3-hydroxy-3-phenylpropyl]prop-2-enamide?
N-[(3R)-3-hydroxy-3-phenylpropyl]prop-2-enamide has a molecular weight of 205.26 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-hydroxy-3-phenylpropyl]prop-2-enamide is sourced from PubChem (CID 166414439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).