2-(4-tert-butylphenoxy)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide

C25H35NO4 — CID 55690103

IUPAC2-(4-tert-butylphenoxy)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide
SMILESCCOCCOCc1cccc(CNC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C25H35NO4/c1-6-28-14-15-29-18-21-9-7-8-20(16-21)17-26-24(27)19(2)30-23-12-10-22(11-13-23)25(3,4)5/h7-13,16,19H,6,14-15,17-18H2,1-5H3,(H,26,27)
InChIKeyFDHYLQPKWLTYMY-UHFFFAOYSA-N
MW413.56 g/mol
LogP4.62
Rot. Bonds11

About 2-(4-tert-butylphenoxy)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide

2-(4-tert-butylphenoxy)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide (PubChem CID 55690103) has the molecular formula C25H35NO4 and a molecular weight of 413.56 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide
PubChem CID55690103
Molecular FormulaC25H35NO4
Molecular Weight413.56 g/mol
Exact Mass413.26
IUPAC Name2-(4-tert-butylphenoxy)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide
SMILESCCOCCOCc1cccc(CNC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C25H35NO4/c1-6-28-14-15-29-18-21-9-7-8-20(16-21)17-26-24(27)19(2)30-23-12-10-22(11-13-23)25(3,4)5/h7-13,16,19H,6,14-15,17-18H2,1-5H3,(H,26,27)
InChIKeyFDHYLQPKWLTYMY-UHFFFAOYSA-N
XLogP4.62
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide
CID 55690197
(2R)-2-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 119289195
(2R)-2-(4-tert-butylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 40609627
(2R)-2-(5-tert-butyltetrazol-1-yl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide
CID 97260054
(2R)-2-(4-tert-butylphenoxy)-N-ethylpropanamide
CID 94033716
(2R)-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 973402
(2R)-N-[(3-ethoxyphenyl)methyl]-2-phenoxypropanamide
CID 94184628
3-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]butanamide;hydrochloride
CID 119723077
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-tert-butylphenoxy)propanamide
CID 4615514
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-naphthalen-1-ylacetamide
CID 39590517
(2R)-2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 33278800
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpent-2-enamide
CID 76868296

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide (CID 55690103) is 2-(4-tert-butylphenoxy)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide is CCOCCOCc1cccc(CNC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide?
The InChIKey is FDHYLQPKWLTYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO4/c1-6-28-14-15-29-18-21-9-7-8-20(16-21)17-26-24(27)19(2)30-23-12-10-22(11-13-23)25(3,4)5/h7-13,16,19H,6,14-15,17-18H2,1-5H3,(H,26,27).
What are the key properties of 2-(4-tert-butylphenoxy)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide?
2-(4-tert-butylphenoxy)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide has a molecular weight of 413.56 g/mol, XLogP of 4.62, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 55690103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).