N-[(1R)-2-hydroxy-1-phenylethyl]pent-4-enamide

C13H17NO2 — CID 67310926

IUPACN-[(1R)-2-hydroxy-1-phenylethyl]pent-4-enamide
SMILESC=CCCC(=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-2-3-9-13(16)14-12(10-15)11-7-5-4-6-8-11/h2,4-8,12,15H,1,3,9-10H2,(H,14,16)/t12-/m0/s1
InChIKeyZXOBKADUIPYAGJ-LBPRGKRZSA-N
MW219.28 g/mol
LogP1.80
Rot. Bonds6

About N-[(1R)-2-hydroxy-1-phenylethyl]pent-4-enamide

N-[(1R)-2-hydroxy-1-phenylethyl]pent-4-enamide (PubChem CID 67310926) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-[(1R)-2-hydroxy-1-phenylethyl]pent-4-enamide.

Molecular Properties

Compound NameN-[(1R)-2-hydroxy-1-phenylethyl]pent-4-enamide
PubChem CID67310926
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-[(1R)-2-hydroxy-1-phenylethyl]pent-4-enamide
SMILESC=CCCC(=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-2-3-9-13(16)14-12(10-15)11-7-5-4-6-8-11/h2,4-8,12,15H,1,3,9-10H2,(H,14,16)/t12-/m0/s1
InChIKeyZXOBKADUIPYAGJ-LBPRGKRZSA-N
XLogP1.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
CID 107863809
N-(2-hydroxy-1-phenylethyl)butanamide
CID 63184192
5-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide
CID 107862734
N-[(1R)-2-hydroxy-1-phenylethyl]-5-phenylpentanamide
CID 59924200
N-(2-hydroxy-1-phenylethyl)-4-(methylamino)butanamide
CID 63183611
7-amino-N-(2-hydroxy-1-phenylethyl)heptanamide
CID 63183869
[2-(pent-4-enoylamino)-2-phenylethyl] 2-methylpent-4-enoate
CID 118867030
4-hydroxy-N-(2-hydroxy-1-phenylethyl)pentanamide
CID 79203204
N-ethyl-N'-[(1S)-2-hydroxy-1-phenylethyl]pentanediamide
CID 110002001
[(2R)-pent-4-en-2-yl] 3-(pent-4-enoylamino)-3-phenylpropanoate
CID 118866987
N-[(1S)-2-hydroxy-1-phenylethyl]-3-phenylsulfanylpropanamide
CID 103944973
N-[(1S)-2-hydroxy-1-phenylethyl]-5-methoxypentanamide
CID 110001835

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]pent-4-enamide?
The IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]pent-4-enamide (CID 67310926) is N-[(1R)-2-hydroxy-1-phenylethyl]pent-4-enamide.
What is the SMILES notation for N-[(1R)-2-hydroxy-1-phenylethyl]pent-4-enamide?
The canonical SMILES for N-[(1R)-2-hydroxy-1-phenylethyl]pent-4-enamide is C=CCCC(=O)N[C@@H](CO)c1ccccc1.
What is the InChIKey of N-[(1R)-2-hydroxy-1-phenylethyl]pent-4-enamide?
The InChIKey is ZXOBKADUIPYAGJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-3-9-13(16)14-12(10-15)11-7-5-4-6-8-11/h2,4-8,12,15H,1,3,9-10H2,(H,14,16)/t12-/m0/s1.
What are the key properties of N-[(1R)-2-hydroxy-1-phenylethyl]pent-4-enamide?
N-[(1R)-2-hydroxy-1-phenylethyl]pent-4-enamide has a molecular weight of 219.28 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-hydroxy-1-phenylethyl]pent-4-enamide is sourced from PubChem (CID 67310926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).