N-[3-(2-ethoxyethoxymethyl)phenyl]-2-(3-propan-2-ylphenoxy)propanamide

C23H31NO4 — CID 55807089

IUPACN-[3-(2-ethoxyethoxymethyl)phenyl]-2-(3-propan-2-ylphenoxy)propanamide
SMILESCCOCCOCc1cccc(NC(=O)C(C)Oc2cccc(C(C)C)c2)c1
InChIInChI=1S/C23H31NO4/c1-5-26-12-13-27-16-19-8-6-10-21(14-19)24-23(25)18(4)28-22-11-7-9-20(15-22)17(2)3/h6-11,14-15,17-18H,5,12-13,16H2,1-4H3,(H,24,25)
InChIKeyLQKWZVCDJNZDLI-UHFFFAOYSA-N
MW385.50 g/mol
LogP4.77
Rot. Bonds11

About N-[3-(2-ethoxyethoxymethyl)phenyl]-2-(3-propan-2-ylphenoxy)propanamide

N-[3-(2-ethoxyethoxymethyl)phenyl]-2-(3-propan-2-ylphenoxy)propanamide (PubChem CID 55807089) has the molecular formula C23H31NO4 and a molecular weight of 385.50 g/mol. Its IUPAC name is N-[3-(2-ethoxyethoxymethyl)phenyl]-2-(3-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-[3-(2-ethoxyethoxymethyl)phenyl]-2-(3-propan-2-ylphenoxy)propanamide
PubChem CID55807089
Molecular FormulaC23H31NO4
Molecular Weight385.50 g/mol
Exact Mass385.23
IUPAC NameN-[3-(2-ethoxyethoxymethyl)phenyl]-2-(3-propan-2-ylphenoxy)propanamide
SMILESCCOCCOCc1cccc(NC(=O)C(C)Oc2cccc(C(C)C)c2)c1
InChIInChI=1S/C23H31NO4/c1-5-26-12-13-27-16-19-8-6-10-21(14-19)24-23(25)18(4)28-22-11-7-9-20(15-22)17(2)3/h6-11,14-15,17-18H,5,12-13,16H2,1-4H3,(H,24,25)
InChIKeyLQKWZVCDJNZDLI-UHFFFAOYSA-N
XLogP4.77
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 54.77
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
N-(4-aminophenyl)-2-(3-propan-2-ylphenoxy)propanamide
CID 16794467
N-[3-(ethoxymethyl)phenyl]-2-hydroxy-2-phenylacetamide
CID 111432650
N-[3-[(2-phenylacetyl)amino]phenyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 17235622
N-[3-(2-ethoxyethoxy)phenyl]-2-(2-methoxyphenoxy)propanamide
CID 19628748
2-(4-tert-butylphenoxy)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide
CID 55690103
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-2-(3-propan-2-ylphenoxy)propanamide
CID 55796411
N-[3-(ethoxymethyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119768832
2-(3,4-dimethylphenoxy)-N-[3-(methoxymethyl)phenyl]propanamide
CID 133211034
2-(4-bromophenoxy)-N-[3-(diethylaminomethyl)phenyl]propanamide
CID 46439306
N-butan-2-yl-2-(3-propan-2-ylphenoxy)propanamide
CID 134037762
(2S)-2-amino-N-[3-(2-butoxyethoxymethyl)phenyl]propanamide;hydrochloride
CID 119306540

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethoxyethoxymethyl)phenyl]-2-(3-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-[3-(2-ethoxyethoxymethyl)phenyl]-2-(3-propan-2-ylphenoxy)propanamide (CID 55807089) is N-[3-(2-ethoxyethoxymethyl)phenyl]-2-(3-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-[3-(2-ethoxyethoxymethyl)phenyl]-2-(3-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-[3-(2-ethoxyethoxymethyl)phenyl]-2-(3-propan-2-ylphenoxy)propanamide is CCOCCOCc1cccc(NC(=O)C(C)Oc2cccc(C(C)C)c2)c1.
What is the InChIKey of N-[3-(2-ethoxyethoxymethyl)phenyl]-2-(3-propan-2-ylphenoxy)propanamide?
The InChIKey is LQKWZVCDJNZDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO4/c1-5-26-12-13-27-16-19-8-6-10-21(14-19)24-23(25)18(4)28-22-11-7-9-20(15-22)17(2)3/h6-11,14-15,17-18H,5,12-13,16H2,1-4H3,(H,24,25).
What are the key properties of N-[3-(2-ethoxyethoxymethyl)phenyl]-2-(3-propan-2-ylphenoxy)propanamide?
N-[3-(2-ethoxyethoxymethyl)phenyl]-2-(3-propan-2-ylphenoxy)propanamide has a molecular weight of 385.50 g/mol, XLogP of 4.77, 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]-2-(3-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 55807089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).