N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide

C22H29NO4 — CID 55690197

IUPACN-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide
SMILESCCOCCOCc1cccc(CNC(=O)C(C)Oc2cccc(C)c2)c1
InChIInChI=1S/C22H29NO4/c1-4-25-11-12-26-16-20-9-6-8-19(14-20)15-23-22(24)18(3)27-21-10-5-7-17(2)13-21/h5-10,13-14,18H,4,11-12,15-16H2,1-3H3,(H,23,24)
InChIKeyBHKABGMDDBRILT-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.63
Rot. Bonds11

About N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide

N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide (PubChem CID 55690197) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide
PubChem CID55690197
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC NameN-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide
SMILESCCOCCOCc1cccc(CNC(=O)C(C)Oc2cccc(C)c2)c1
InChIInChI=1S/C22H29NO4/c1-4-25-11-12-26-16-20-9-6-8-19(14-20)15-23-22(24)18(3)27-21-10-5-7-17(2)13-21/h5-10,13-14,18H,4,11-12,15-16H2,1-3H3,(H,23,24)
InChIKeyBHKABGMDDBRILT-UHFFFAOYSA-N
XLogP3.63
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.63
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

2-(4-tert-butylphenoxy)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide
CID 55690103
(2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide
CID 38295049
(2R)-2-(3,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 99132130
(2R)-2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 33278800
(2R)-2-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 119289195
2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 21366996
(2R)-N-[(3-ethoxyphenyl)methyl]-2-phenoxypropanamide
CID 94184628
N-[[2-(hydroxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide
CID 110909100
dimethyl-[[4-[[[(2S)-2-(3-methylphenoxy)propanoyl]amino]methyl]phenyl]methyl]azanium
CID 9194529
2-(3-methylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide
CID 133218956
N-[3-(2-ethoxyethoxymethyl)phenyl]-2-(3-propan-2-ylphenoxy)propanamide
CID 55807089
3-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]butanamide;hydrochloride
CID 119723077

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide?
The IUPAC name of N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide (CID 55690197) is N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide?
The canonical SMILES for N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide is CCOCCOCc1cccc(CNC(=O)C(C)Oc2cccc(C)c2)c1.
What is the InChIKey of N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide?
The InChIKey is BHKABGMDDBRILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO4/c1-4-25-11-12-26-16-20-9-6-8-19(14-20)15-23-22(24)18(3)27-21-10-5-7-17(2)13-21/h5-10,13-14,18H,4,11-12,15-16H2,1-3H3,(H,23,24).
What are the key properties of N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide?
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide has a molecular weight of 371.48 g/mol, XLogP of 3.63, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 55690197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).