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

C15H19NO4 — CID 6444575

IUPAC(E)-N-prop-2-enyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESC=CCNC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H19NO4/c1-5-8-16-14(17)7-6-11-9-12(18-2)15(20-4)13(10-11)19-3/h5-7,9-10H,1,8H2,2-4H3,(H,16,17)/b7-6+
InChIKeyLEWMQCAPBAEVIL-VOTSOKGWSA-N
MW277.32 g/mol
LogP2.03
Rot. Bonds7

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

(E)-N-prop-2-enyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 6444575) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is (E)-N-prop-2-enyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-prop-2-enyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID6444575
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name(E)-N-prop-2-enyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESC=CCNC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H19NO4/c1-5-8-16-14(17)7-6-11-9-12(18-2)15(20-4)13(10-11)19-3/h5-7,9-10H,1,8H2,2-4H3,(H,16,17)/b7-6+
InChIKeyLEWMQCAPBAEVIL-VOTSOKGWSA-N
XLogP2.03
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 637858
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CID 6154037
1-[3-(3,4,5-Trimethoxy-phenyl)-acryloyl]-5,6-dihydro-1H-pyridin-2-one
CID 643764
T 686
CID 6438903
Feruloylputrescine
CID 5281796
1-(3,4,5-Trimethoxycinnamoyl)pyrrolidine
CID 808227
Dihydropiplartine
CID 689050
3-(3,4-Dimethoxyphenyl)-N-(2-(3,4-dimethoxyphenyl)ethyl)-2-propenamide
CID 1042025
(E)-N-Methyl-3-(3,4,5-trimethoxyphenyl) acrylamide (1a)
CID 6435252

Frequently Asked Questions

What is the IUPAC name of (E)-N-prop-2-enyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-prop-2-enyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 6444575) is (E)-N-prop-2-enyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-prop-2-enyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-prop-2-enyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is C=CCNC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of (E)-N-prop-2-enyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is LEWMQCAPBAEVIL-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H19NO4/c1-5-8-16-14(17)7-6-11-9-12(18-2)15(20-4)13(10-11)19-3/h5-7,9-10H,1,8H2,2-4H3,(H,16,17)/b7-6+.
What are the key properties of (E)-N-prop-2-enyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
(E)-N-prop-2-enyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 277.32 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-prop-2-enyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 6444575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).