N-ethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide

C14H19NO4 — CID 3905301

IUPACN-ethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
SMILESCCNC(=O)C=Cc1ccc(OC)c(OC)c1OC
InChIInChI=1S/C14H19NO4/c1-5-15-12(16)9-7-10-6-8-11(17-2)14(19-4)13(10)18-3/h6-9H,5H2,1-4H3,(H,15,16)
InChIKeyLZXZXJCZUILOFG-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.86
Rot. Bonds6

About N-ethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide

N-ethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide (PubChem CID 3905301) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-ethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-ethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
PubChem CID3905301
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC NameN-ethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
SMILESCCNC(=O)C=Cc1ccc(OC)c(OC)c1OC
InChIInChI=1S/C14H19NO4/c1-5-15-12(16)9-7-10-6-8-11(17-2)14(19-4)13(10)18-3/h6-9H,5H2,1-4H3,(H,15,16)
InChIKeyLZXZXJCZUILOFG-UHFFFAOYSA-N
XLogP1.86
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3-methoxypropyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 126388548
(E)-N-[(4-methoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 6064379
N-[(4-methoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 4307222
(E)-N-[(2-ethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 28570264
N-(3-propan-2-yloxypropyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 4241398
3-(5-chloro-2-methoxyphenyl)-N-ethylprop-2-enamide
CID 75268042
(E)-N-(2,4-dimethylpentan-3-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 6068482
N-(4-iodophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 3285237
N-(2,4-dimethoxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 4015229
N-[4-(dimethylamino)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 3794891
1-phenyl-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 54454091
(E)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 6297086

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of N-ethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide (CID 3905301) is N-ethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-ethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for N-ethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide is CCNC(=O)C=Cc1ccc(OC)c(OC)c1OC.
What is the InChIKey of N-ethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide?
The InChIKey is LZXZXJCZUILOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-5-15-12(16)9-7-10-6-8-11(17-2)14(19-4)13(10)18-3/h6-9H,5H2,1-4H3,(H,15,16).
What are the key properties of N-ethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide?
N-ethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide has a molecular weight of 265.31 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 3905301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).