(E)-N-(2-hydroxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

C14H19NO5 — CID 6434082

IUPAC(E)-N-(2-hydroxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)NCCO)cc(OC)c1OC
InChIInChI=1S/C14H19NO5/c1-18-11-8-10(4-5-13(17)15-6-7-16)9-12(19-2)14(11)20-3/h4-5,8-9,16H,6-7H2,1-3H3,(H,15,17)/b5-4+
InChIKeyASJISPPWLSJQIS-SNAWJCMRSA-N
MW281.31 g/mol
LogP0.83
Rot. Bonds7

About (E)-N-(2-hydroxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

(E)-N-(2-hydroxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 6434082) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is (E)-N-(2-hydroxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-hydroxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID6434082
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name(E)-N-(2-hydroxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)NCCO)cc(OC)c1OC
InChIInChI=1S/C14H19NO5/c1-18-11-8-10(4-5-13(17)15-6-7-16)9-12(19-2)14(11)20-3/h4-5,8-9,16H,6-7H2,1-3H3,(H,15,17)/b5-4+
InChIKeyASJISPPWLSJQIS-SNAWJCMRSA-N
XLogP0.83
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Piperlongumine
CID 637858
N-Trans-Sinapoyltyramine
CID 25245053
Cintriamide
CID 6154037
N-Trans-Feruloyloctopamine
CID 24096391
1-[3-(3,4,5-Trimethoxy-phenyl)-acryloyl]-5,6-dihydro-1H-pyridin-2-one
CID 643764
Feruloylputrescine
CID 5281796
1-(3,4,5-Trimethoxycinnamoyl)pyrrolidine
CID 808227
(E)-N-Methyl-3-(3,4,5-trimethoxyphenyl) acrylamide (1a)
CID 6435252
(E)-N-Allyl-3-(3,4,5-trimethoxyphenyl) acrylamide (1b)
CID 6444575
N-cis-Feruloylputrescine
CID 92339985
2-(Acetylamino)-3-(3,4,5-trimethoxyphenyl)acrylic acid
CID 5703255
1-(3-(4-Hydroxy-3,5-dimethoxyphenyl)acryloyl)-5,6-dihydropyridin-2(1H)-one
CID 15463390

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-hydroxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-hydroxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 6434082) is (E)-N-(2-hydroxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-hydroxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-hydroxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is COc1cc(/C=C/C(=O)NCCO)cc(OC)c1OC.
What is the InChIKey of (E)-N-(2-hydroxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is ASJISPPWLSJQIS-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H19NO5/c1-18-11-8-10(4-5-13(17)15-6-7-16)9-12(19-2)14(11)20-3/h4-5,8-9,16H,6-7H2,1-3H3,(H,15,17)/b5-4+.
What are the key properties of (E)-N-(2-hydroxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
(E)-N-(2-hydroxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 281.31 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-hydroxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 6434082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).