(E)-N-(3-hydroxy-4-methoxybutyl)-3-phenylprop-2-enamide

C14H19NO3 — CID 113343565

IUPAC(E)-N-(3-hydroxy-4-methoxybutyl)-3-phenylprop-2-enamide
SMILESCOCC(O)CCNC(=O)/C=C/c1ccccc1
InChIInChI=1S/C14H19NO3/c1-18-11-13(16)9-10-15-14(17)8-7-12-5-3-2-4-6-12/h2-8,13,16H,9-11H2,1H3,(H,15,17)/b8-7+
InChIKeyROKAQGUATHZLAV-BQYQJAHWSA-N
MW249.31 g/mol
LogP1.21
Rot. Bonds7

About (E)-N-(3-hydroxy-4-methoxybutyl)-3-phenylprop-2-enamide

(E)-N-(3-hydroxy-4-methoxybutyl)-3-phenylprop-2-enamide (PubChem CID 113343565) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (E)-N-(3-hydroxy-4-methoxybutyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-hydroxy-4-methoxybutyl)-3-phenylprop-2-enamide
PubChem CID113343565
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(E)-N-(3-hydroxy-4-methoxybutyl)-3-phenylprop-2-enamide
SMILESCOCC(O)CCNC(=O)/C=C/c1ccccc1
InChIInChI=1S/C14H19NO3/c1-18-11-13(16)9-10-15-14(17)8-7-12-5-3-2-4-6-12/h2-8,13,16H,9-11H2,1H3,(H,15,17)/b8-7+
InChIKeyROKAQGUATHZLAV-BQYQJAHWSA-N
XLogP1.21
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-bromophenyl)-N-(3-hydroxy-4-methoxybutyl)prop-2-enamide
CID 103876818
(E)-3-(4-fluorophenyl)-N-(3-hydroxy-4-methoxybutyl)prop-2-enamide
CID 103877112
(2S)-2-hydroxy-4-[[(E)-3-phenylprop-2-enoyl]amino]butanoic acid
CID 107833894
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
(E)-N-(3-hydroxy-4-methoxybutyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide
CID 103877666
N-[2-(methylamino)ethyl]-3-phenylprop-2-enamide
CID 76948085
1-(3-hydroxy-4-methoxybutyl)-3-phenylurea
CID 103875503
methyl 4-[3-(3,3-diphenylpropylamino)-3-oxoprop-1-enyl]benzoate
CID 3418889
(2-hydroxy-3-propan-2-yloxypropyl)-dimethyl-[3-(3-phenylprop-2-enoylamino)propyl]azanium
CID 59107228
methyl 2-(3-phenylprop-2-enoylamino)acetate
CID 582979
(E)-3-phenyl-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]prop-2-enamide
CID 155475641
3-(4-ethylphenyl)-N-(2-hydroxy-3-methoxypropyl)prop-2-enamide
CID 77024262

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-hydroxy-4-methoxybutyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(3-hydroxy-4-methoxybutyl)-3-phenylprop-2-enamide (CID 113343565) is (E)-N-(3-hydroxy-4-methoxybutyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(3-hydroxy-4-methoxybutyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(3-hydroxy-4-methoxybutyl)-3-phenylprop-2-enamide is COCC(O)CCNC(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-(3-hydroxy-4-methoxybutyl)-3-phenylprop-2-enamide?
The InChIKey is ROKAQGUATHZLAV-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H19NO3/c1-18-11-13(16)9-10-15-14(17)8-7-12-5-3-2-4-6-12/h2-8,13,16H,9-11H2,1H3,(H,15,17)/b8-7+.
What are the key properties of (E)-N-(3-hydroxy-4-methoxybutyl)-3-phenylprop-2-enamide?
(E)-N-(3-hydroxy-4-methoxybutyl)-3-phenylprop-2-enamide has a molecular weight of 249.31 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-hydroxy-4-methoxybutyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 113343565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).