(E)-4-hydroxy-2-methyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]butyl]but-2-enamide

C18H24N2O3 — CID 10980024

IUPAC(E)-4-hydroxy-2-methyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]butyl]but-2-enamide
SMILESC/C(=C\CO)C(=O)NCCCCNC(=O)/C=C/c1ccccc1
InChIInChI=1S/C18H24N2O3/c1-15(11-14-21)18(23)20-13-6-5-12-19-17(22)10-9-16-7-3-2-4-8-16/h2-4,7-11,21H,5-6,12-14H2,1H3,(H,19,22)(H,20,23)/b10-9+,15-11+
InChIKeyVRQBQHFFHBFLQO-LVICEBGESA-N
MW316.40 g/mol
LogP1.65
Rot. Bonds9

About (E)-4-hydroxy-2-methyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]butyl]but-2-enamide

(E)-4-hydroxy-2-methyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]butyl]but-2-enamide (PubChem CID 10980024) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is (E)-4-hydroxy-2-methyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]butyl]but-2-enamide.

Molecular Properties

Compound Name(E)-4-hydroxy-2-methyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]butyl]but-2-enamide
PubChem CID10980024
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name(E)-4-hydroxy-2-methyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]butyl]but-2-enamide
SMILESC/C(=C\CO)C(=O)NCCCCNC(=O)/C=C/c1ccccc1
InChIInChI=1S/C18H24N2O3/c1-15(11-14-21)18(23)20-13-6-5-12-19-17(22)10-9-16-7-3-2-4-8-16/h2-4,7-11,21H,5-6,12-14H2,1H3,(H,19,22)(H,20,23)/b10-9+,15-11+
InChIKeyVRQBQHFFHBFLQO-LVICEBGESA-N
XLogP1.65
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 1550874
Brn 2646116
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Cinnamamide, N-(2-hydroxy-1-methylethyl)-
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Cinnamamide, N-allyl-alpha-methyl-
CID 6435635
(2E)(4E)-5-Phenylpenta-2,4-dienoic acid (5-hydroxycarbamoylpentyl)amide
CID 9879458
(2E,4E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-methyl-5-phenyl-2,4-pentadienamide
CID 42599455
Aglaiduline
CID 1551204
(2E)-N-pentyl-3-phenylprop-2-enamide
CID 5385502
N-(2-phenylethyl)deca-2E,4E-dienamide
CID 14015869

Frequently Asked Questions

What is the IUPAC name of (E)-4-hydroxy-2-methyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]butyl]but-2-enamide?
The IUPAC name of (E)-4-hydroxy-2-methyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]butyl]but-2-enamide (CID 10980024) is (E)-4-hydroxy-2-methyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]butyl]but-2-enamide.
What is the SMILES notation for (E)-4-hydroxy-2-methyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]butyl]but-2-enamide?
The canonical SMILES for (E)-4-hydroxy-2-methyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]butyl]but-2-enamide is C/C(=C\CO)C(=O)NCCCCNC(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-4-hydroxy-2-methyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]butyl]but-2-enamide?
The InChIKey is VRQBQHFFHBFLQO-LVICEBGESA-N. The full InChI is InChI=1S/C18H24N2O3/c1-15(11-14-21)18(23)20-13-6-5-12-19-17(22)10-9-16-7-3-2-4-8-16/h2-4,7-11,21H,5-6,12-14H2,1H3,(H,19,22)(H,20,23)/b10-9+,15-11+.
What are the key properties of (E)-4-hydroxy-2-methyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]butyl]but-2-enamide?
(E)-4-hydroxy-2-methyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]butyl]but-2-enamide has a molecular weight of 316.40 g/mol, XLogP of 1.65, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-hydroxy-2-methyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]butyl]but-2-enamide is sourced from PubChem (CID 10980024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).