1-N-[2-(2-methoxyethoxy)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide;molecular hydrogen

C17H30N2O4 — CID 166130832

IUPAC1-N-[2-(2-methoxyethoxy)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide;molecular hydrogen
SMILESCOCCOCCNC(=O)c1ccc(C(=O)NCC(C)C)cc1.[H][H].[H][H]
InChIInChI=1S/C17H26N2O4.2H2/c1-13(2)12-19-17(21)15-6-4-14(5-7-15)16(20)18-8-9-23-11-10-22-3;;/h4-7,13H,8-12H2,1-3H3,(H,18,20)(H,19,21);2*1H
InChIKeyVHMUSNXTJJXKMR-UHFFFAOYSA-N
MW326.44 g/mol
LogP1.96
Rot. Bonds10

About 1-N-[2-(2-methoxyethoxy)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide;molecular hydrogen

1-N-[2-(2-methoxyethoxy)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide;molecular hydrogen (PubChem CID 166130832) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-N-[2-(2-methoxyethoxy)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide;molecular hydrogen.

Molecular Properties

Compound Name1-N-[2-(2-methoxyethoxy)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide;molecular hydrogen
PubChem CID166130832
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC Name1-N-[2-(2-methoxyethoxy)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide;molecular hydrogen
SMILESCOCCOCCNC(=O)c1ccc(C(=O)NCC(C)C)cc1.[H][H].[H][H]
InChIInChI=1S/C17H26N2O4.2H2/c1-13(2)12-19-17(21)15-6-4-14(5-7-15)16(20)18-8-9-23-11-10-22-3;;/h4-7,13H,8-12H2,1-3H3,(H,18,20)(H,19,21);2*1H
InChIKeyVHMUSNXTJJXKMR-UHFFFAOYSA-N
XLogP1.96
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-N-[2-(2-methoxyethoxy)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-carbamimidoyl-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 20641922
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-(propan-2-ylideneamino)benzamide
CID 118012728
N-[2-(2-methoxyethoxy)ethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55685287
4-(butan-2-ylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 55685376
3,4-dihydroxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]benzamide
CID 177473805
4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]benzamide
CID 55046818
4-(2-methylpropyl)-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]benzamide
CID 172602747
4-[3-(2-methoxyethoxy)propylcarbamoyl]benzoic acid
CID 103790262
3-bromo-N-[2-(2-methoxyethoxy)ethyl]-4-methylbenzamide
CID 79466673
4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134028875
4-bromo-N-(3-methoxy-2-methylpropyl)benzamide
CID 48685252
N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxybenzamide
CID 82354283

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(2-methoxyethoxy)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide;molecular hydrogen?
The IUPAC name of 1-N-[2-(2-methoxyethoxy)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide;molecular hydrogen (CID 166130832) is 1-N-[2-(2-methoxyethoxy)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide;molecular hydrogen.
What is the SMILES notation for 1-N-[2-(2-methoxyethoxy)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide;molecular hydrogen?
The canonical SMILES for 1-N-[2-(2-methoxyethoxy)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide;molecular hydrogen is COCCOCCNC(=O)c1ccc(C(=O)NCC(C)C)cc1.[H][H].[H][H].
What is the InChIKey of 1-N-[2-(2-methoxyethoxy)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide;molecular hydrogen?
The InChIKey is VHMUSNXTJJXKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4.2H2/c1-13(2)12-19-17(21)15-6-4-14(5-7-15)16(20)18-8-9-23-11-10-22-3;;/h4-7,13H,8-12H2,1-3H3,(H,18,20)(H,19,21);2*1H.
What are the key properties of 1-N-[2-(2-methoxyethoxy)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide;molecular hydrogen?
1-N-[2-(2-methoxyethoxy)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide;molecular hydrogen has a molecular weight of 326.44 g/mol, XLogP of 1.96, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(2-methoxyethoxy)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide;molecular hydrogen is sourced from PubChem (CID 166130832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).