3-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]prop-2-enamide

C14H19NO5 — CID 70430825

IUPAC3-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]prop-2-enamide
SMILESCOCCOCOc1ccc(C=CC(N)=O)cc1OC
InChIInChI=1S/C14H19NO5/c1-17-7-8-19-10-20-12-5-3-11(4-6-14(15)16)9-13(12)18-2/h3-6,9H,7-8,10H2,1-2H3,(H2,15,16)
InChIKeyKTLFSVGVAKFLIE-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.19
Rot. Bonds9

About 3-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]prop-2-enamide

3-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]prop-2-enamide (PubChem CID 70430825) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]prop-2-enamide
PubChem CID70430825
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name3-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]prop-2-enamide
SMILESCOCCOCOc1ccc(C=CC(N)=O)cc1OC
InChIInChI=1S/C14H19NO5/c1-17-7-8-19-10-20-12-5-3-11(4-6-14(15)16)9-13(12)18-2/h3-6,9H,7-8,10H2,1-2H3,(H2,15,16)
InChIKeyKTLFSVGVAKFLIE-UHFFFAOYSA-N
XLogP1.19
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-[4-(2-bromoethoxy)-3-methoxyphenyl]prop-2-enamide
CID 170877086
3-[3-methoxy-4-[2-(2-methoxyethoxy)ethoxy]phenyl]prop-2-enoic acid
CID 77022183
5-[3,4-bis(2-methoxyethoxymethoxy)phenyl]penta-2,4-dienoic acid
CID 54184584
5-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]-N-[4-[5-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]penta-2,4-dienoylamino]butyl]penta-2,4-dienamide
CID 54488772
3-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]prop-2-enamide
CID 68883280
(E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
CID 91685134
3-(3,4-diethoxyphenyl)prop-2-enamide
CID 75266278
(E)-3-[4-methoxy-3-(2-methoxyethoxy)phenyl]prop-2-enoic acid
CID 29018494
1,7-bis(3,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 53393977
(E)-N-(3-benzhydryloxypropyl)-3-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]prop-2-enamide
CID 70482910
3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]prop-2-enoic acid
CID 4652824
(1E,4E)-1,5-bis(3,4-dimethoxyphenyl)penta-1,4-dien-3-one;ethane
CID 143217008

Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]prop-2-enamide?
The IUPAC name of 3-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]prop-2-enamide (CID 70430825) is 3-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for 3-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]prop-2-enamide?
The canonical SMILES for 3-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]prop-2-enamide is COCCOCOc1ccc(C=CC(N)=O)cc1OC.
What is the InChIKey of 3-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]prop-2-enamide?
The InChIKey is KTLFSVGVAKFLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-17-7-8-19-10-20-12-5-3-11(4-6-14(15)16)9-13(12)18-2/h3-6,9H,7-8,10H2,1-2H3,(H2,15,16).
What are the key properties of 3-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]prop-2-enamide?
3-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]prop-2-enamide has a molecular weight of 281.31 g/mol, XLogP of 1.19, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 70430825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).