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

C14H19NO4 — CID 175533762

IUPACN-ethyl-N-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESC=CC(=O)N(CC)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C14H19NO4/c1-6-13(16)15(7-2)10-8-11(17-3)14(19-5)12(9-10)18-4/h6,8-9H,1,7H2,2-5H3
InChIKeyVESGVKZURFMXDD-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.25
Rot. Bonds6

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

N-ethyl-N-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 175533762) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-ethyl-N-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-ethyl-N-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID175533762
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC NameN-ethyl-N-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESC=CC(=O)N(CC)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C14H19NO4/c1-6-13(16)15(7-2)10-8-11(17-3)14(19-5)12(9-10)18-4/h6,8-9H,1,7H2,2-5H3
InChIKeyVESGVKZURFMXDD-UHFFFAOYSA-N
XLogP2.25
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3,4,5-trimethoxyphenyl) prop-2-enoate
CID 100954582
N-ethenyl-3,4,5-trimethoxybenzamide
CID 102575963
N-(4-methoxyphenyl)-N-(3-oxopentyl)prop-2-enamide
CID 101380942
2-(N-acetyl-3,4,5-trimethoxyanilino)-N-butyl-N-methylacetamide
CID 113179148
2-(N-acetyl-3,4,5-trimethoxyanilino)-N-pentylacetamide
CID 113179147
N-(3-hydroxyphenyl)-3,4,5-trimethoxy-N-prop-2-enylbenzamide
CID 21204736
N-[1-(3,4,5-trimethoxyphenyl)ethyl]prop-2-enamide
CID 51346106
3-amino-N-ethyl-4,5-dimethoxy-N-phenylbenzamide
CID 82183957
2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(3,5-dimethylphenyl)acetamide
CID 113179163
2-(diethylamino)ethyl 3,4,5-trimethoxybenzoate
CID 20292
(E)-1-(3,4,5-trimethoxyphenyl)hex-1-en-3-one
CID 14723786
N,N-bis[(2S)-butan-2-yl]-3,4,5-trimethoxybenzamide
CID 40584793

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of N-ethyl-N-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 175533762) is N-ethyl-N-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-ethyl-N-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for N-ethyl-N-(3,4,5-trimethoxyphenyl)prop-2-enamide is C=CC(=O)N(CC)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-ethyl-N-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is VESGVKZURFMXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-6-13(16)15(7-2)10-8-11(17-3)14(19-5)12(9-10)18-4/h6,8-9H,1,7H2,2-5H3.
What are the key properties of N-ethyl-N-(3,4,5-trimethoxyphenyl)prop-2-enamide?
N-ethyl-N-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 265.31 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 175533762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).