2,4-bis(2-ethoxyethyl)-5-methylbenzene-1,3-dicarboxamide

C17H26N2O4 — CID 87514102

IUPAC2,4-bis(2-ethoxyethyl)-5-methylbenzene-1,3-dicarboxamide
SMILESCCOCCc1c(C)cc(C(N)=O)c(CCOCC)c1C(N)=O
InChIInChI=1S/C17H26N2O4/c1-4-22-8-6-12-11(3)10-14(16(18)20)13(7-9-23-5-2)15(12)17(19)21/h10H,4-9H2,1-3H3,(H2,18,20)(H2,19,21)
InChIKeyMPYFNWSDCZTVIV-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.35
Rot. Bonds10

About 2,4-bis(2-ethoxyethyl)-5-methylbenzene-1,3-dicarboxamide

2,4-bis(2-ethoxyethyl)-5-methylbenzene-1,3-dicarboxamide (PubChem CID 87514102) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2,4-bis(2-ethoxyethyl)-5-methylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name2,4-bis(2-ethoxyethyl)-5-methylbenzene-1,3-dicarboxamide
PubChem CID87514102
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name2,4-bis(2-ethoxyethyl)-5-methylbenzene-1,3-dicarboxamide
SMILESCCOCCc1c(C)cc(C(N)=O)c(CCOCC)c1C(N)=O
InChIInChI=1S/C17H26N2O4/c1-4-22-8-6-12-11(3)10-14(16(18)20)13(7-9-23-5-2)15(12)17(19)21/h10H,4-9H2,1-3H3,(H2,18,20)(H2,19,21)
InChIKeyMPYFNWSDCZTVIV-UHFFFAOYSA-N
XLogP1.35
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.35
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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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2-ethoxyethyl)-5-methylbenzene-1,3-dicarboxamide?
The IUPAC name of 2,4-bis(2-ethoxyethyl)-5-methylbenzene-1,3-dicarboxamide (CID 87514102) is 2,4-bis(2-ethoxyethyl)-5-methylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 2,4-bis(2-ethoxyethyl)-5-methylbenzene-1,3-dicarboxamide?
The canonical SMILES for 2,4-bis(2-ethoxyethyl)-5-methylbenzene-1,3-dicarboxamide is CCOCCc1c(C)cc(C(N)=O)c(CCOCC)c1C(N)=O.
What is the InChIKey of 2,4-bis(2-ethoxyethyl)-5-methylbenzene-1,3-dicarboxamide?
The InChIKey is MPYFNWSDCZTVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-4-22-8-6-12-11(3)10-14(16(18)20)13(7-9-23-5-2)15(12)17(19)21/h10H,4-9H2,1-3H3,(H2,18,20)(H2,19,21).
What are the key properties of 2,4-bis(2-ethoxyethyl)-5-methylbenzene-1,3-dicarboxamide?
2,4-bis(2-ethoxyethyl)-5-methylbenzene-1,3-dicarboxamide has a molecular weight of 322.41 g/mol, XLogP of 1.35, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(2-ethoxyethyl)-5-methylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 87514102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).