N-[4-(2-ethoxyethoxy)phenyl]-2-methoxybenzamide

C18H21NO4 — CID 17130584

IUPACN-[4-(2-ethoxyethoxy)phenyl]-2-methoxybenzamide
SMILESCCOCCOc1ccc(NC(=O)c2ccccc2OC)cc1
InChIInChI=1S/C18H21NO4/c1-3-22-12-13-23-15-10-8-14(9-11-15)19-18(20)16-6-4-5-7-17(16)21-2/h4-11H,3,12-13H2,1-2H3,(H,19,20)
InChIKeyXRYCTAAVXYPSIL-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.36
Rot. Bonds8

About N-[4-(2-ethoxyethoxy)phenyl]-2-methoxybenzamide

N-[4-(2-ethoxyethoxy)phenyl]-2-methoxybenzamide (PubChem CID 17130584) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[4-(2-ethoxyethoxy)phenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(2-ethoxyethoxy)phenyl]-2-methoxybenzamide
PubChem CID17130584
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC NameN-[4-(2-ethoxyethoxy)phenyl]-2-methoxybenzamide
SMILESCCOCCOc1ccc(NC(=O)c2ccccc2OC)cc1
InChIInChI=1S/C18H21NO4/c1-3-22-12-13-23-15-10-8-14(9-11-15)19-18(20)16-6-4-5-7-17(16)21-2/h4-11H,3,12-13H2,1-2H3,(H,19,20)
InChIKeyXRYCTAAVXYPSIL-UHFFFAOYSA-N
XLogP3.36
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.36
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-ethoxy-N-[4-(2-ethoxyethoxy)phenyl]benzamide
CID 17130609
N-[4-(2-ethoxyethoxy)phenyl]-2-phenylmethoxybenzamide
CID 17130628
N-[4-(4-ethoxyphenoxy)phenyl]-2-methoxybenzamide
CID 7925290
N-[4-(2-ethoxyethoxy)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 17130561
2-(2-ethoxyethoxy)-N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17123092
2-ethoxy-N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17130749
N-(4-ethoxyphenyl)-2-(2-phenoxyethoxy)benzamide
CID 4954273
2-methoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130159
2-anilino-N-[4-(2-ethoxyethoxy)phenyl]benzamide
CID 54784907
2-(2-ethoxyethoxy)-N-(3-methoxyphenyl)benzamide
CID 17122713
2-ethoxy-N-(4-methoxyphenyl)benzamide
CID 5019237
N-[4-(2-ethoxyethoxy)phenyl]-2-nitrobenzamide
CID 17130519

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethoxyethoxy)phenyl]-2-methoxybenzamide?
The IUPAC name of N-[4-(2-ethoxyethoxy)phenyl]-2-methoxybenzamide (CID 17130584) is N-[4-(2-ethoxyethoxy)phenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[4-(2-ethoxyethoxy)phenyl]-2-methoxybenzamide?
The canonical SMILES for N-[4-(2-ethoxyethoxy)phenyl]-2-methoxybenzamide is CCOCCOc1ccc(NC(=O)c2ccccc2OC)cc1.
What is the InChIKey of N-[4-(2-ethoxyethoxy)phenyl]-2-methoxybenzamide?
The InChIKey is XRYCTAAVXYPSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-3-22-12-13-23-15-10-8-14(9-11-15)19-18(20)16-6-4-5-7-17(16)21-2/h4-11H,3,12-13H2,1-2H3,(H,19,20).
What are the key properties of N-[4-(2-ethoxyethoxy)phenyl]-2-methoxybenzamide?
N-[4-(2-ethoxyethoxy)phenyl]-2-methoxybenzamide has a molecular weight of 315.37 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethoxyethoxy)phenyl]-2-methoxybenzamide is sourced from PubChem (CID 17130584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).