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

C18H27NO6 — CID 74346559

IUPACN,N-bis(2-methoxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOCCN(CCOC)C(=O)C=Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C18H27NO6/c1-21-10-8-19(9-11-22-2)17(20)7-6-14-12-15(23-3)18(25-5)16(13-14)24-4/h6-7,12-13H,8-11H2,1-5H3
InChIKeyFRRAVTWMGJTUOR-UHFFFAOYSA-N
MW353.42 g/mol
LogP1.85
Rot. Bonds11

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

N,N-bis(2-methoxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 74346559) has the molecular formula C18H27NO6 and a molecular weight of 353.42 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID74346559
Molecular FormulaC18H27NO6
Molecular Weight353.42 g/mol
Exact Mass353.18
IUPAC NameN,N-bis(2-methoxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOCCN(CCOC)C(=O)C=Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C18H27NO6/c1-21-10-8-19(9-11-22-2)17(20)7-6-14-12-15(23-3)18(25-5)16(13-14)24-4/h6-7,12-13H,8-11H2,1-5H3
InChIKeyFRRAVTWMGJTUOR-UHFFFAOYSA-N
XLogP1.85
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-N,N-bis(2-methoxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 24891342
N,N-dibenzyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 76857554
[4-[3-(diethylamino)-3-oxoprop-1-enyl]-2,6-dimethoxyphenyl] acetate
CID 123248209
(E)-1-(3,4,5-trimethoxyphenyl)hex-1-en-3-one
CID 14723786
(E)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 51189835
3-[methyl-[2-[methyl-[3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxypropyl]amino]ethyl]amino]propyl (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CID 11714369
N,3-bis(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 78566887
(1E,6E)-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(3,4,5-trimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 73438577
1-sulfonyl-4-(3,4,5-trimethoxyphenyl)but-3-en-2-one
CID 173037255
(2E,4E)-N-ethyl-N-[3-[4-[3-[ethyl-[(2E,4E)-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienoyl]amino]propyl]piperazin-1-yl]propyl]-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienamide
CID 18518195
methyl 2-oxo-4-(3,4,5-trimethoxyphenyl)but-3-enoate
CID 71350536
3-(3,4,5-trimethoxyphenyl)-1-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 71835462

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of N,N-bis(2-methoxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 74346559) is N,N-bis(2-methoxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for N,N-bis(2-methoxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is COCCN(CCOC)C(=O)C=Cc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N,N-bis(2-methoxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is FRRAVTWMGJTUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO6/c1-21-10-8-19(9-11-22-2)17(20)7-6-14-12-15(23-3)18(25-5)16(13-14)24-4/h6-7,12-13H,8-11H2,1-5H3.
What are the key properties of N,N-bis(2-methoxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
N,N-bis(2-methoxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 353.42 g/mol, XLogP of 1.85, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 74346559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).