1-N-(2-methoxyethyl)-4-N-(2-phenoxyphenyl)benzene-1,4-dicarboxamide

C23H22N2O4 — CID 109045227

IUPAC1-N-(2-methoxyethyl)-4-N-(2-phenoxyphenyl)benzene-1,4-dicarboxamide
SMILESCOCCNC(=O)c1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C23H22N2O4/c1-28-16-15-24-22(26)17-11-13-18(14-12-17)23(27)25-20-9-5-6-10-21(20)29-19-7-3-2-4-8-19/h2-14H,15-16H2,1H3,(H,24,26)(H,25,27)
InChIKeyFDUKATGBUMWKJW-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.11
Rot. Bonds8

About 1-N-(2-methoxyethyl)-4-N-(2-phenoxyphenyl)benzene-1,4-dicarboxamide

1-N-(2-methoxyethyl)-4-N-(2-phenoxyphenyl)benzene-1,4-dicarboxamide (PubChem CID 109045227) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 1-N-(2-methoxyethyl)-4-N-(2-phenoxyphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-methoxyethyl)-4-N-(2-phenoxyphenyl)benzene-1,4-dicarboxamide
PubChem CID109045227
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name1-N-(2-methoxyethyl)-4-N-(2-phenoxyphenyl)benzene-1,4-dicarboxamide
SMILESCOCCNC(=O)c1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C23H22N2O4/c1-28-16-15-24-22(26)17-11-13-18(14-12-17)23(27)25-20-9-5-6-10-21(20)29-19-7-3-2-4-8-19/h2-14H,15-16H2,1H3,(H,24,26)(H,25,27)
InChIKeyFDUKATGBUMWKJW-UHFFFAOYSA-N
XLogP4.11
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-(2-methoxyethyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109045189
4-tert-butyl-N-(2-phenoxyphenyl)benzamide
CID 903986
4-(acetamidomethyl)-N-(2-phenoxyphenyl)benzamide
CID 17417945
N-(2-methoxyethyl)-3-(2-phenoxyanilino)propanamide
CID 109015125
N-(2-methoxyethyl)-2-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 17150371
4-methylsulfonyl-N-(2-phenoxyphenyl)benzamide
CID 7267210
N-(2-methoxyethyl)-4-[[2-oxo-2-[2-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
CID 54836272
1-(methoxymethyl)-3-(2-phenoxyphenyl)urea
CID 110676062
4-ethoxy-3-methoxy-N-(2-phenoxyphenyl)benzamide
CID 24583790
4-bromo-N-[2-oxo-2-(2-phenoxyanilino)ethyl]benzamide
CID 112771581
3,4-dihydroxy-N-(2-phenoxyphenyl)benzamide
CID 113199337
4-isocyanato-N-(2-phenoxyphenyl)benzamide
CID 169353101

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxyethyl)-4-N-(2-phenoxyphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(2-methoxyethyl)-4-N-(2-phenoxyphenyl)benzene-1,4-dicarboxamide (CID 109045227) is 1-N-(2-methoxyethyl)-4-N-(2-phenoxyphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(2-methoxyethyl)-4-N-(2-phenoxyphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(2-methoxyethyl)-4-N-(2-phenoxyphenyl)benzene-1,4-dicarboxamide is COCCNC(=O)c1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1.
What is the InChIKey of 1-N-(2-methoxyethyl)-4-N-(2-phenoxyphenyl)benzene-1,4-dicarboxamide?
The InChIKey is FDUKATGBUMWKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-28-16-15-24-22(26)17-11-13-18(14-12-17)23(27)25-20-9-5-6-10-21(20)29-19-7-3-2-4-8-19/h2-14H,15-16H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 1-N-(2-methoxyethyl)-4-N-(2-phenoxyphenyl)benzene-1,4-dicarboxamide?
1-N-(2-methoxyethyl)-4-N-(2-phenoxyphenyl)benzene-1,4-dicarboxamide has a molecular weight of 390.44 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methoxyethyl)-4-N-(2-phenoxyphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109045227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).