3-N-(2-tert-butylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide

C21H26N2O3 — CID 109052583

IUPAC3-N-(2-tert-butylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
SMILESCOCCNC(=O)c1cccc(C(=O)Nc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C21H26N2O3/c1-21(2,3)17-10-5-6-11-18(17)23-20(25)16-9-7-8-15(14-16)19(24)22-12-13-26-4/h5-11,14H,12-13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyNTLGLCPJXIPQAZ-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.61
Rot. Bonds6

About 3-N-(2-tert-butylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide

3-N-(2-tert-butylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide (PubChem CID 109052583) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-N-(2-tert-butylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2-tert-butylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
PubChem CID109052583
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name3-N-(2-tert-butylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
SMILESCOCCNC(=O)c1cccc(C(=O)Nc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C21H26N2O3/c1-21(2,3)17-10-5-6-11-18(17)23-20(25)16-9-7-8-15(14-16)19(24)22-12-13-26-4/h5-11,14H,12-13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyNTLGLCPJXIPQAZ-UHFFFAOYSA-N
XLogP3.61
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.61
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

5-N-(2-tert-butylphenyl)-3-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide
CID 109103485
4-N-(2-tert-butylphenyl)-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082404
3-N-(2-bromophenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052632
N-(2-tert-butylphenyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 109063589
3-N-(2-tert-butylphenyl)-1-N-(2-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057400
N-(2-tert-butylphenyl)-3-phenoxybenzamide
CID 7920156
3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052487
N-(2-tert-butylphenyl)-3-propan-2-yloxybenzamide
CID 8779118
3-N-(2,4-dimethoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052609
N-[2-(2-tert-butylanilino)-2-oxoethyl]-3-methoxybenzamide
CID 112997486
methyl 3-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate
CID 109052619
3-N-(3,4-dimethylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052570

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-tert-butylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(2-tert-butylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide (CID 109052583) is 3-N-(2-tert-butylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2-tert-butylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2-tert-butylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide is COCCNC(=O)c1cccc(C(=O)Nc2ccccc2C(C)(C)C)c1.
What is the InChIKey of 3-N-(2-tert-butylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide?
The InChIKey is NTLGLCPJXIPQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-21(2,3)17-10-5-6-11-18(17)23-20(25)16-9-7-8-15(14-16)19(24)22-12-13-26-4/h5-11,14H,12-13H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of 3-N-(2-tert-butylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide?
3-N-(2-tert-butylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide has a molecular weight of 354.45 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-tert-butylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109052583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).