4-hydroxy-2-phenylmethoxy-N-prop-2-enylbutanamide

C14H19NO3 — CID 135013372

IUPAC4-hydroxy-2-phenylmethoxy-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)C(CCO)OCc1ccccc1
InChIInChI=1S/C14H19NO3/c1-2-9-15-14(17)13(8-10-16)18-11-12-6-4-3-5-7-12/h2-7,13,16H,1,8-11H2,(H,15,17)
InChIKeyZBTHFEVJVRDJRT-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.26
Rot. Bonds8

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

4-hydroxy-2-phenylmethoxy-N-prop-2-enylbutanamide (PubChem CID 135013372) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-hydroxy-2-phenylmethoxy-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name4-hydroxy-2-phenylmethoxy-N-prop-2-enylbutanamide
PubChem CID135013372
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name4-hydroxy-2-phenylmethoxy-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)C(CCO)OCc1ccccc1
InChIInChI=1S/C14H19NO3/c1-2-9-15-14(17)13(8-10-16)18-11-12-6-4-3-5-7-12/h2-7,13,16H,1,8-11H2,(H,15,17)
InChIKeyZBTHFEVJVRDJRT-UHFFFAOYSA-N
XLogP1.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxycyclohexyl)-4-phenylmethoxybutanamide
CID 49371527
benzyl (E)-3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]prop-2-enoate
CID 51051204
5-(Benzyloxy)-6-oxo-1,2,3,6-tetrahydro-4-pyridinecarboxylic acid
CID 3759703
N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-2-methoxyacetamide
CID 44271111
(3S)-N-benzyl-3-(hydroxymethyl)-4-phenylmethoxybutanamide
CID 44313641
(3S)-N-ethyl-3-(hydroxymethyl)-4-phenylmethoxybutanamide
CID 44313648
(3S)-3-(hydroxymethyl)-N-methyl-4-phenylmethoxybutanamide
CID 44313655
2-phenylmethoxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]acetamide
CID 44434264
2-ethoxy-N-(2-methoxy-2-phenylbutyl)acetamide
CID 71810722
benzyl (E)-3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino](1,2,3-13C3)prop-2-enoate
CID 145949466
benzyl (Z)-3-[[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]prop-2-enoate
CID 145950187
benzyl (E)-3-[[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]prop-2-enoate
CID 145957847

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-phenylmethoxy-N-prop-2-enylbutanamide?
The IUPAC name of 4-hydroxy-2-phenylmethoxy-N-prop-2-enylbutanamide (CID 135013372) is 4-hydroxy-2-phenylmethoxy-N-prop-2-enylbutanamide.
What is the SMILES notation for 4-hydroxy-2-phenylmethoxy-N-prop-2-enylbutanamide?
The canonical SMILES for 4-hydroxy-2-phenylmethoxy-N-prop-2-enylbutanamide is C=CCNC(=O)C(CCO)OCc1ccccc1.
What is the InChIKey of 4-hydroxy-2-phenylmethoxy-N-prop-2-enylbutanamide?
The InChIKey is ZBTHFEVJVRDJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-9-15-14(17)13(8-10-16)18-11-12-6-4-3-5-7-12/h2-7,13,16H,1,8-11H2,(H,15,17).
What are the key properties of 4-hydroxy-2-phenylmethoxy-N-prop-2-enylbutanamide?
4-hydroxy-2-phenylmethoxy-N-prop-2-enylbutanamide has a molecular weight of 249.31 g/mol, XLogP of 1.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-phenylmethoxy-N-prop-2-enylbutanamide is sourced from PubChem (CID 135013372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).