(E)-N-[4-hydroxy-1-[[(E)-3-phenylprop-2-enoyl]amino]butyl]-2-methylbut-2-enamide

C18H24N2O3 — CID 10448466

IUPAC(E)-N-[4-hydroxy-1-[[(E)-3-phenylprop-2-enoyl]amino]butyl]-2-methylbut-2-enamide
SMILESC/C=C(\C)C(=O)NC(CCCO)NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C18H24N2O3/c1-3-14(2)18(23)20-16(10-7-13-21)19-17(22)12-11-15-8-5-4-6-9-15/h3-6,8-9,11-12,16,21H,7,10,13H2,1-2H3,(H,19,22)(H,20,23)/b12-11+,14-3+
InChIKeyJMDVMZLAYKHRCD-WKWZSVOQSA-N
MW316.40 g/mol
LogP2.00
Rot. Bonds8

About (E)-N-[4-hydroxy-1-[[(E)-3-phenylprop-2-enoyl]amino]butyl]-2-methylbut-2-enamide

(E)-N-[4-hydroxy-1-[[(E)-3-phenylprop-2-enoyl]amino]butyl]-2-methylbut-2-enamide (PubChem CID 10448466) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is (E)-N-[4-hydroxy-1-[[(E)-3-phenylprop-2-enoyl]amino]butyl]-2-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-hydroxy-1-[[(E)-3-phenylprop-2-enoyl]amino]butyl]-2-methylbut-2-enamide
PubChem CID10448466
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name(E)-N-[4-hydroxy-1-[[(E)-3-phenylprop-2-enoyl]amino]butyl]-2-methylbut-2-enamide
SMILESC/C=C(\C)C(=O)NC(CCCO)NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C18H24N2O3/c1-3-14(2)18(23)20-16(10-7-13-21)19-17(22)12-11-15-8-5-4-6-9-15/h3-6,8-9,11-12,16,21H,7,10,13H2,1-2H3,(H,19,22)(H,20,23)/b12-11+,14-3+
InChIKeyJMDVMZLAYKHRCD-WKWZSVOQSA-N
XLogP2.00
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-hydroxy-1-[[(E)-3-phenylprop-2-enoyl]amino]butyl]-2-methylbut-2-enamide?
The IUPAC name of (E)-N-[4-hydroxy-1-[[(E)-3-phenylprop-2-enoyl]amino]butyl]-2-methylbut-2-enamide (CID 10448466) is (E)-N-[4-hydroxy-1-[[(E)-3-phenylprop-2-enoyl]amino]butyl]-2-methylbut-2-enamide.
What is the SMILES notation for (E)-N-[4-hydroxy-1-[[(E)-3-phenylprop-2-enoyl]amino]butyl]-2-methylbut-2-enamide?
The canonical SMILES for (E)-N-[4-hydroxy-1-[[(E)-3-phenylprop-2-enoyl]amino]butyl]-2-methylbut-2-enamide is C/C=C(\C)C(=O)NC(CCCO)NC(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-[4-hydroxy-1-[[(E)-3-phenylprop-2-enoyl]amino]butyl]-2-methylbut-2-enamide?
The InChIKey is JMDVMZLAYKHRCD-WKWZSVOQSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-3-14(2)18(23)20-16(10-7-13-21)19-17(22)12-11-15-8-5-4-6-9-15/h3-6,8-9,11-12,16,21H,7,10,13H2,1-2H3,(H,19,22)(H,20,23)/b12-11+,14-3+.
What are the key properties of (E)-N-[4-hydroxy-1-[[(E)-3-phenylprop-2-enoyl]amino]butyl]-2-methylbut-2-enamide?
(E)-N-[4-hydroxy-1-[[(E)-3-phenylprop-2-enoyl]amino]butyl]-2-methylbut-2-enamide has a molecular weight of 316.40 g/mol, XLogP of 2.00, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-hydroxy-1-[[(E)-3-phenylprop-2-enoyl]amino]butyl]-2-methylbut-2-enamide is sourced from PubChem (CID 10448466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).