1-N-(2-methoxyethyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide

C20H24N2O4 — CID 109045189

IUPAC1-N-(2-methoxyethyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
SMILESCOCCNC(=O)c1ccc(C(=O)Nc2ccccc2OC(C)C)cc1
InChIInChI=1S/C20H24N2O4/c1-14(2)26-18-7-5-4-6-17(18)22-20(24)16-10-8-15(9-11-16)19(23)21-12-13-25-3/h4-11,14H,12-13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeySKHHRBCPDDTDHR-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.10
Rot. Bonds8

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

1-N-(2-methoxyethyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide (PubChem CID 109045189) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 1-N-(2-methoxyethyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-methoxyethyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
PubChem CID109045189
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name1-N-(2-methoxyethyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
SMILESCOCCNC(=O)c1ccc(C(=O)Nc2ccccc2OC(C)C)cc1
InChIInChI=1S/C20H24N2O4/c1-14(2)26-18-7-5-4-6-17(18)22-20(24)16-10-8-15(9-11-16)19(23)21-12-13-25-3/h4-11,14H,12-13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeySKHHRBCPDDTDHR-UHFFFAOYSA-N
XLogP3.10
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.10
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-methylpropyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109043960
1-N-(2-methoxyethyl)-4-N-(2-phenoxyphenyl)benzene-1,4-dicarboxamide
CID 109045227
1-N-phenyl-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109049242
N-(3-methoxypropyl)-4-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide
CID 54835570
1-(3-methoxypropyl)-3-(2-propan-2-yloxyphenyl)urea
CID 47221937
2-(2-methoxyethylamino)-N-(2-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119714872
4-chloro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide
CID 112999004
1-N-(3-methylphenyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109049370
1-N-(3-methoxypropyl)-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109045330
4-(ethylsulfamoyl)-N-(2-propan-2-yloxyphenyl)benzamide
CID 39498244
N-(3-methoxypropyl)-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109153376
3-bromo-4-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150992

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxyethyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(2-methoxyethyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide (CID 109045189) is 1-N-(2-methoxyethyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(2-methoxyethyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(2-methoxyethyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide is COCCNC(=O)c1ccc(C(=O)Nc2ccccc2OC(C)C)cc1.
What is the InChIKey of 1-N-(2-methoxyethyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide?
The InChIKey is SKHHRBCPDDTDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-14(2)26-18-7-5-4-6-17(18)22-20(24)16-10-8-15(9-11-16)19(23)21-12-13-25-3/h4-11,14H,12-13H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 1-N-(2-methoxyethyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide?
1-N-(2-methoxyethyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide has a molecular weight of 356.42 g/mol, XLogP of 3.10, 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-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109045189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).