1-N-(2-methoxyethyl)-3-N-(2-methyl-6-propan-2-ylphenyl)benzene-1,3-dicarboxamide

C21H26N2O3 — CID 109052582

IUPAC1-N-(2-methoxyethyl)-3-N-(2-methyl-6-propan-2-ylphenyl)benzene-1,3-dicarboxamide
SMILESCOCCNC(=O)c1cccc(C(=O)Nc2c(C)cccc2C(C)C)c1
InChIInChI=1S/C21H26N2O3/c1-14(2)18-10-5-7-15(3)19(18)23-21(25)17-9-6-8-16(13-17)20(24)22-11-12-26-4/h5-10,13-14H,11-12H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyXOYSARRVUQNLDQ-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.75
Rot. Bonds7

About 1-N-(2-methoxyethyl)-3-N-(2-methyl-6-propan-2-ylphenyl)benzene-1,3-dicarboxamide

1-N-(2-methoxyethyl)-3-N-(2-methyl-6-propan-2-ylphenyl)benzene-1,3-dicarboxamide (PubChem CID 109052582) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-N-(2-methoxyethyl)-3-N-(2-methyl-6-propan-2-ylphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-methoxyethyl)-3-N-(2-methyl-6-propan-2-ylphenyl)benzene-1,3-dicarboxamide
PubChem CID109052582
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name1-N-(2-methoxyethyl)-3-N-(2-methyl-6-propan-2-ylphenyl)benzene-1,3-dicarboxamide
SMILESCOCCNC(=O)c1cccc(C(=O)Nc2c(C)cccc2C(C)C)c1
InChIInChI=1S/C21H26N2O3/c1-14(2)18-10-5-7-15(3)19(18)23-21(25)17-9-6-8-16(13-17)20(24)22-11-12-26-4/h5-10,13-14H,11-12H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyXOYSARRVUQNLDQ-UHFFFAOYSA-N
XLogP3.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]benzamide
CID 109063672
3-N-(3,4-dimethylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052570
1-N-(3-methoxypropyl)-3-N-(2,4,6-trimethylphenyl)benzene-1,3-dicarboxamide
CID 109052749
N-(3-methoxypropyl)-2-(2-methyl-6-propan-2-ylanilino)pyridine-4-carboxamide
CID 109167064
N-[2,6-di(propan-2-yl)phenyl]-3-(methoxymethyl)benzamide
CID 8777185
1-N-(2-methoxyethyl)-3-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052499
3-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)-4-propoxybenzamide
CID 26218687
3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052487
4-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 2701404
4-methoxy-N-(2-methyl-6-propan-2-ylphenyl)-3-prop-2-enylbenzamide
CID 21173889
4-amino-3-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 107073896
4-(difluoromethoxy)-3-methoxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 7919835

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxyethyl)-3-N-(2-methyl-6-propan-2-ylphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(2-methoxyethyl)-3-N-(2-methyl-6-propan-2-ylphenyl)benzene-1,3-dicarboxamide (CID 109052582) is 1-N-(2-methoxyethyl)-3-N-(2-methyl-6-propan-2-ylphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(2-methoxyethyl)-3-N-(2-methyl-6-propan-2-ylphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(2-methoxyethyl)-3-N-(2-methyl-6-propan-2-ylphenyl)benzene-1,3-dicarboxamide is COCCNC(=O)c1cccc(C(=O)Nc2c(C)cccc2C(C)C)c1.
What is the InChIKey of 1-N-(2-methoxyethyl)-3-N-(2-methyl-6-propan-2-ylphenyl)benzene-1,3-dicarboxamide?
The InChIKey is XOYSARRVUQNLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-14(2)18-10-5-7-15(3)19(18)23-21(25)17-9-6-8-16(13-17)20(24)22-11-12-26-4/h5-10,13-14H,11-12H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of 1-N-(2-methoxyethyl)-3-N-(2-methyl-6-propan-2-ylphenyl)benzene-1,3-dicarboxamide?
1-N-(2-methoxyethyl)-3-N-(2-methyl-6-propan-2-ylphenyl)benzene-1,3-dicarboxamide has a molecular weight of 354.45 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methoxyethyl)-3-N-(2-methyl-6-propan-2-ylphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109052582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).