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

C12H15NO4 — CID 68886270

IUPAC2-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESC=C(C(N)=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C12H15NO4/c1-7(12(13)14)8-5-9(15-2)11(17-4)10(6-8)16-3/h5-6H,1H2,2-4H3,(H2,13,14)
InChIKeyIUPHSHCVWHOXGV-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.21
Rot. Bonds5

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

2-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 68886270) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name2-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID68886270
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESC=C(C(N)=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C12H15NO4/c1-7(12(13)14)8-5-9(15-2)11(17-4)10(6-8)16-3/h5-6H,1H2,2-4H3,(H2,13,14)
InChIKeyIUPHSHCVWHOXGV-UHFFFAOYSA-N
XLogP1.21
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.21
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

2-(3,4,5-trimethoxyphenyl)prop-2-enoyl chloride
CID 175261663
2-(3,4-difluorophenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 141327398
2-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 141327397
(3,4,5-trimethoxybenzoyl)sulfonyl-(3,4,5-trimethoxyphenyl)methanone
CID 88824717
2-amino-1-(3,4,5-trimethoxyphenyl)ethanone;hydrochloride
CID 22281599
[(2R)-1-amino-1-oxopropan-2-yl] 3,4,5-trimethoxybenzoate
CID 2572150
iodomethyl 3,4,5-trimethoxybenzoate
CID 19866330
3-bromo-4,5-dimethoxybenzamide
CID 900808
2-[3,4-bis(2-methoxyethoxy)phenyl]prop-2-enamide
CID 154641411
[(Z)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]urea
CID 6003302
[3,5-bis[(3,4,5-trimethoxybenzoyl)oxy]phenyl] 3,4,5-trimethoxybenzoate
CID 67989294
3,4,5-trimethoxy-N-sulfanylbenzamide
CID 59695341

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of 2-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 68886270) is 2-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for 2-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for 2-(3,4,5-trimethoxyphenyl)prop-2-enamide is C=C(C(N)=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 2-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is IUPHSHCVWHOXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-7(12(13)14)8-5-9(15-2)11(17-4)10(6-8)16-3/h5-6H,1H2,2-4H3,(H2,13,14).
What are the key properties of 2-(3,4,5-trimethoxyphenyl)prop-2-enamide?
2-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 237.25 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 68886270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).