4-hydroxy-4-phenyl-N-prop-2-enylbutanamide

C13H17NO2 — CID 112509842

IUPAC4-hydroxy-4-phenyl-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)CCC(O)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-2-10-14-13(16)9-8-12(15)11-6-4-3-5-7-11/h2-7,12,15H,1,8-10H2,(H,14,16)
InChIKeyJQFCSUNAXVCPIF-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.80
Rot. Bonds6

About 4-hydroxy-4-phenyl-N-prop-2-enylbutanamide

4-hydroxy-4-phenyl-N-prop-2-enylbutanamide (PubChem CID 112509842) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-hydroxy-4-phenyl-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name4-hydroxy-4-phenyl-N-prop-2-enylbutanamide
PubChem CID112509842
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name4-hydroxy-4-phenyl-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)CCC(O)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-2-10-14-13(16)9-8-12(15)11-6-4-3-5-7-11/h2-7,12,15H,1,8-10H2,(H,14,16)
InChIKeyJQFCSUNAXVCPIF-UHFFFAOYSA-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-amino-4-phenyl-N-prop-2-enylbutanamide
CID 63323887
N-(3-hydroxy-3-phenylpropyl)-N'-prop-2-enyloxamide
CID 90499658
4-phenyl-4-(prop-2-enylcarbamoylamino)butanoic acid
CID 61192607
N-[(3R)-3-hydroxy-3-phenylpropyl]prop-2-enamide
CID 166414439
4-(2-chlorophenyl)-4-cyano-N-prop-2-enylbutanamide
CID 112517061
4-oxo-4-(prop-2-enylamino)butanoic acid
CID 5157666
4-cyano-4-(3-fluorophenyl)-N-prop-2-enylbutanamide
CID 112515887
N-(3-hydroxy-3-phenylpropyl)butanamide;propane
CID 143470750
1-phenylethyl N-prop-2-enylcarbamate
CID 67912904
N-ethyl-N'-(3-hydroxy-3-phenylpropyl)butanediamide
CID 111472033
(4Z)-4-ethenyl-1-phenylhepta-4,6-dien-1-ol
CID 142924342
3-amino-2-methyl-3-phenyl-N-prop-2-enylpropanamide
CID 80551795

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-phenyl-N-prop-2-enylbutanamide?
The IUPAC name of 4-hydroxy-4-phenyl-N-prop-2-enylbutanamide (CID 112509842) is 4-hydroxy-4-phenyl-N-prop-2-enylbutanamide.
What is the SMILES notation for 4-hydroxy-4-phenyl-N-prop-2-enylbutanamide?
The canonical SMILES for 4-hydroxy-4-phenyl-N-prop-2-enylbutanamide is C=CCNC(=O)CCC(O)c1ccccc1.
What is the InChIKey of 4-hydroxy-4-phenyl-N-prop-2-enylbutanamide?
The InChIKey is JQFCSUNAXVCPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-10-14-13(16)9-8-12(15)11-6-4-3-5-7-11/h2-7,12,15H,1,8-10H2,(H,14,16).
What are the key properties of 4-hydroxy-4-phenyl-N-prop-2-enylbutanamide?
4-hydroxy-4-phenyl-N-prop-2-enylbutanamide 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 4-hydroxy-4-phenyl-N-prop-2-enylbutanamide is sourced from PubChem (CID 112509842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).