2-benzylidene-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butanamide

C18H27NO5 — CID 67388361

IUPAC2-benzylidene-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butanamide
SMILESCOCCOCCOCCOCCC(=Cc1ccccc1)C(N)=O
InChIInChI=1S/C18H27NO5/c1-21-9-10-23-13-14-24-12-11-22-8-7-17(18(19)20)15-16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3,(H2,19,20)
InChIKeySCUASMJUJQNZAP-UHFFFAOYSA-N
MW337.42 g/mol
LogP1.64
Rot. Bonds14

About 2-benzylidene-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butanamide

2-benzylidene-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butanamide (PubChem CID 67388361) has the molecular formula C18H27NO5 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-benzylidene-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butanamide.

Molecular Properties

Compound Name2-benzylidene-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butanamide
PubChem CID67388361
Molecular FormulaC18H27NO5
Molecular Weight337.42 g/mol
Exact Mass337.19
IUPAC Name2-benzylidene-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butanamide
SMILESCOCCOCCOCCOCCC(=Cc1ccccc1)C(N)=O
InChIInChI=1S/C18H27NO5/c1-21-9-10-23-13-14-24-12-11-22-8-7-17(18(19)20)15-16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3,(H2,19,20)
InChIKeySCUASMJUJQNZAP-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
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

2-benzylidene-4-methoxybutanoic acid
CID 150039493
methyl (2Z)-2-benzylidene-4-methoxybutanoate
CID 122641210
2-benzylideneicosanamide
CID 167436455
2-benzylidenebutanediamide
CID 141083330
2-(fluoromethyl)-3-phenylprop-2-enamide
CID 151130923
2-methoxyethyl 2-methoxy-3-phenylprop-2-enoate
CID 150649669
methyl (Z)-3-phenyl-2-(sulfanylmethyl)prop-2-enoate
CID 42598055
2-(2-methoxyethoxy)ethyl 3-phenylpropanoate
CID 70881793
(2E)-2-benzylidene-N-(4-methoxybutyl)butanamide
CID 110617152
N'-[4-(2-methoxyethoxy)butanoyl]benzohydrazide
CID 47365652
6-O-benzyl 1-O-[2-(2-methoxyethoxy)ethyl] hexanedioate;bis[2-(2-methoxyethoxy)ethyl] hexanedioate;dibenzyl hexanedioate
CID 158933563
ethyl (Z)-2-(bromomethyl)-3-phenyl(313C)prop-2-enoate
CID 11369236

Frequently Asked Questions

What is the IUPAC name of 2-benzylidene-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butanamide?
The IUPAC name of 2-benzylidene-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butanamide (CID 67388361) is 2-benzylidene-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butanamide.
What is the SMILES notation for 2-benzylidene-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butanamide?
The canonical SMILES for 2-benzylidene-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butanamide is COCCOCCOCCOCCC(=Cc1ccccc1)C(N)=O.
What is the InChIKey of 2-benzylidene-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butanamide?
The InChIKey is SCUASMJUJQNZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO5/c1-21-9-10-23-13-14-24-12-11-22-8-7-17(18(19)20)15-16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3,(H2,19,20).
What are the key properties of 2-benzylidene-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butanamide?
2-benzylidene-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butanamide has a molecular weight of 337.42 g/mol, XLogP of 1.64, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylidene-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butanamide is sourced from PubChem (CID 67388361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).