(E)-3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]phenyl]prop-2-enamide

C18H27NO5 — CID 67388356

IUPAC(E)-3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]phenyl]prop-2-enamide
SMILESCOCCOCCOCCOCCc1ccccc1/C=C/C(N)=O
InChIInChI=1S/C18H27NO5/c1-21-10-11-23-14-15-24-13-12-22-9-8-17-5-3-2-4-16(17)6-7-18(19)20/h2-7H,8-15H2,1H3,(H2,19,20)/b7-6+
InChIKeyVOHUCOYIEYQYHH-VOTSOKGWSA-N
MW337.42 g/mol
LogP1.42
Rot. Bonds14

About (E)-3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]phenyl]prop-2-enamide

(E)-3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]phenyl]prop-2-enamide (PubChem CID 67388356) has the molecular formula C18H27NO5 and a molecular weight of 337.42 g/mol. Its IUPAC name is (E)-3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]phenyl]prop-2-enamide
PubChem CID67388356
Molecular FormulaC18H27NO5
Molecular Weight337.42 g/mol
Exact Mass337.19
IUPAC Name(E)-3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]phenyl]prop-2-enamide
SMILESCOCCOCCOCCOCCc1ccccc1/C=C/C(N)=O
InChIInChI=1S/C18H27NO5/c1-21-10-11-23-14-15-24-13-12-22-9-8-17-5-3-2-4-16(17)6-7-18(19)20/h2-7H,8-15H2,1H3,(H2,19,20)/b7-6+
InChIKeyVOHUCOYIEYQYHH-VOTSOKGWSA-N
XLogP1.42
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[2-(3-amino-3-oxoprop-1-enyl)phenyl]acetate
CID 169482244
(E)-3-[2-[3-(2-methoxyethoxy)propoxymethyl]phenyl]prop-2-enoic acid
CID 103404278
(E)-3-(2-propoxyphenyl)prop-2-enamide
CID 82040605
(E)-3-[2-[3-(2-methoxyethoxy)propoxy]phenyl]prop-2-enoic acid
CID 103410475
methyl (E)-3-[2-(chloromethyl)phenyl]prop-2-enoate
CID 119094981
methyl 3-[2-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]propanoate
CID 102577172
3-[2-[[3-methoxypropyl(methyl)amino]methyl]phenyl]prop-2-enoic acid
CID 76981943
(E)-3-[2-(3-ethoxy-3-oxopropyl)phenyl]prop-2-enoic acid
CID 166641850
2-methoxyethyl 2-(2-methylphenyl)acetate
CID 78830183
N,N,2-tris[2-(2-methoxyethoxy)ethyl]aniline
CID 150684481
2,3-bis(2-methoxyethyl)benzamide
CID 140931342
2-(2-methoxyethoxy)ethylbenzene
CID 21135488

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]phenyl]prop-2-enamide (CID 67388356) is (E)-3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]phenyl]prop-2-enamide is COCCOCCOCCOCCc1ccccc1/C=C/C(N)=O.
What is the InChIKey of (E)-3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]phenyl]prop-2-enamide?
The InChIKey is VOHUCOYIEYQYHH-VOTSOKGWSA-N. The full InChI is InChI=1S/C18H27NO5/c1-21-10-11-23-14-15-24-13-12-22-9-8-17-5-3-2-4-16(17)6-7-18(19)20/h2-7H,8-15H2,1H3,(H2,19,20)/b7-6+.
What are the key properties of (E)-3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]phenyl]prop-2-enamide?
(E)-3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]phenyl]prop-2-enamide has a molecular weight of 337.42 g/mol, XLogP of 1.42, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]phenyl]prop-2-enamide is sourced from PubChem (CID 67388356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).