2-[3,4-bis(2-methoxyethoxy)phenyl]prop-2-enamide

C15H21NO5 — CID 154641411

IUPAC2-[3,4-bis(2-methoxyethoxy)phenyl]prop-2-enamide
SMILESC=C(C(N)=O)c1ccc(OCCOC)c(OCCOC)c1
InChIInChI=1S/C15H21NO5/c1-11(15(16)17)12-4-5-13(20-8-6-18-2)14(10-12)21-9-7-19-3/h4-5,10H,1,6-9H2,2-3H3,(H2,16,17)
InChIKeyNKYSSRWZMAXLLC-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.24
Rot. Bonds10

About 2-[3,4-bis(2-methoxyethoxy)phenyl]prop-2-enamide

2-[3,4-bis(2-methoxyethoxy)phenyl]prop-2-enamide (PubChem CID 154641411) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[3,4-bis(2-methoxyethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name2-[3,4-bis(2-methoxyethoxy)phenyl]prop-2-enamide
PubChem CID154641411
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name2-[3,4-bis(2-methoxyethoxy)phenyl]prop-2-enamide
SMILESC=C(C(N)=O)c1ccc(OCCOC)c(OCCOC)c1
InChIInChI=1S/C15H21NO5/c1-11(15(16)17)12-4-5-13(20-8-6-18-2)14(10-12)21-9-7-19-3/h4-5,10H,1,6-9H2,2-3H3,(H2,16,17)
InChIKeyNKYSSRWZMAXLLC-UHFFFAOYSA-N
XLogP1.24
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.24
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 4-methoxy-3-(2-methoxyethoxy)benzoate
CID 66876699
ethyl 4-(2-methoxyethoxy)-3-propoxybenzoate
CID 121423908
N'-hydroxy-3-methoxy-4-(2-methoxyethoxy)benzenecarboximidamide
CID 24691682
2-[4-(3-methoxypropylsulfanyl)phenyl]prop-2-enamide
CID 143392310
3-ethoxy-4-(4-methoxybutoxy)benzoic acid
CID 104647711
[4-methoxy-3-(3-methoxypropoxy)benzoyl]chloranium
CID 147794030
1,2-bis(2-methoxyethoxy)-4-nitrobenzene;carbamic acid
CID 175523332
2-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 68886270
4-(2-methoxyethoxy)-3-methylbenzoic acid
CID 58551370
2-(3,4-dimethylphenyl)prop-2-enamide
CID 69495371
3-amino-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoic acid
CID 104564096
3-amino-4-(2-methoxyethoxy)-N,N-dimethylbenzamide
CID 82991549

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis(2-methoxyethoxy)phenyl]prop-2-enamide?
The IUPAC name of 2-[3,4-bis(2-methoxyethoxy)phenyl]prop-2-enamide (CID 154641411) is 2-[3,4-bis(2-methoxyethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for 2-[3,4-bis(2-methoxyethoxy)phenyl]prop-2-enamide?
The canonical SMILES for 2-[3,4-bis(2-methoxyethoxy)phenyl]prop-2-enamide is C=C(C(N)=O)c1ccc(OCCOC)c(OCCOC)c1.
What is the InChIKey of 2-[3,4-bis(2-methoxyethoxy)phenyl]prop-2-enamide?
The InChIKey is NKYSSRWZMAXLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-11(15(16)17)12-4-5-13(20-8-6-18-2)14(10-12)21-9-7-19-3/h4-5,10H,1,6-9H2,2-3H3,(H2,16,17).
What are the key properties of 2-[3,4-bis(2-methoxyethoxy)phenyl]prop-2-enamide?
2-[3,4-bis(2-methoxyethoxy)phenyl]prop-2-enamide has a molecular weight of 295.34 g/mol, XLogP of 1.24, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis(2-methoxyethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 154641411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).