N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpent-2-enamide

C18H27NO3 — CID 76868296

IUPACN-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpent-2-enamide
SMILESCCC=C(C)C(=O)NCc1cccc(COCCOCC)c1
InChIInChI=1S/C18H27NO3/c1-4-7-15(3)18(20)19-13-16-8-6-9-17(12-16)14-22-11-10-21-5-2/h6-9,12H,4-5,10-11,13-14H2,1-3H3,(H,19,20)
InChIKeyJMYANLJCGIXCCW-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.21
Rot. Bonds10

About N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpent-2-enamide

N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpent-2-enamide (PubChem CID 76868296) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpent-2-enamide.

Molecular Properties

Compound NameN-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpent-2-enamide
PubChem CID76868296
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC NameN-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpent-2-enamide
SMILESCCC=C(C)C(=O)NCc1cccc(COCCOCC)c1
InChIInChI=1S/C18H27NO3/c1-4-7-15(3)18(20)19-13-16-8-6-9-17(12-16)14-22-11-10-21-5-2/h6-9,12H,4-5,10-11,13-14H2,1-3H3,(H,19,20)
InChIKeyJMYANLJCGIXCCW-UHFFFAOYSA-N
XLogP3.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(Z)-N-[(3-bromophenyl)methyl]-2-methylpent-2-enamide
CID 60553199
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-naphthalen-1-ylacetamide
CID 39590517
(2R)-2-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 119289195
3-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]butanamide;hydrochloride
CID 119723077
4-(3-bromophenoxy)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]butanamide
CID 55690199
(E)-3-(4-acetamidophenyl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]prop-2-enamide
CID 39588594
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide
CID 55690197
2-(4-tert-butylphenoxy)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide
CID 55690103
1-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2,3-dimethylguanidine;hydroiodide
CID 110915556
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-methylsulfonylbenzamide
CID 39586980
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-5-methylsulfanylfuran-2-carboxamide
CID 86940542
1-[(3-chlorophenyl)methyl]-3-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylguanidine
CID 111176834

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpent-2-enamide?
The IUPAC name of N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpent-2-enamide (CID 76868296) is N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpent-2-enamide.
What is the SMILES notation for N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpent-2-enamide?
The canonical SMILES for N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpent-2-enamide is CCC=C(C)C(=O)NCc1cccc(COCCOCC)c1.
What is the InChIKey of N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpent-2-enamide?
The InChIKey is JMYANLJCGIXCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-4-7-15(3)18(20)19-13-16-8-6-9-17(12-16)14-22-11-10-21-5-2/h6-9,12H,4-5,10-11,13-14H2,1-3H3,(H,19,20).
What are the key properties of N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpent-2-enamide?
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpent-2-enamide has a molecular weight of 305.42 g/mol, XLogP of 3.21, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpent-2-enamide is sourced from PubChem (CID 76868296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).