1-N,1-N,4-N-triethyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide

C21H26N2O2 — CID 109048470

IUPAC1-N,1-N,4-N-triethyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
SMILESCCN(CC)C(=O)c1ccc(C(=O)N(CC)c2cccc(C)c2)cc1
InChIInChI=1S/C21H26N2O2/c1-5-22(6-2)20(24)17-11-13-18(14-12-17)21(25)23(7-3)19-10-8-9-16(4)15-19/h8-15H,5-7H2,1-4H3
InChIKeyDCHJKYSZBWWHPU-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.14
Rot. Bonds6

About 1-N,1-N,4-N-triethyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide

1-N,1-N,4-N-triethyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide (PubChem CID 109048470) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-N,1-N,4-N-triethyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N,4-N-triethyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
PubChem CID109048470
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name1-N,1-N,4-N-triethyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
SMILESCCN(CC)C(=O)c1ccc(C(=O)N(CC)c2cccc(C)c2)cc1
InChIInChI=1S/C21H26N2O2/c1-5-22(6-2)20(24)17-11-13-18(14-12-17)21(25)23(7-3)19-10-8-9-16(4)15-19/h8-15H,5-7H2,1-4H3
InChIKeyDCHJKYSZBWWHPU-UHFFFAOYSA-N
XLogP4.14
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(3-methylphenyl)-4-sulfanylbenzamide
CID 107023760
N,4-diethyl-N-(3-methylphenyl)benzamide
CID 533234
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CID 110865026
4-methyl-N-(3-methylphenyl)-N-propylbenzamide
CID 17319549
N-ethyl-N-(3-methylphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044713
3-cyano-N-ethyl-N-(3-methylphenyl)benzamide
CID 60737545
1-N,1-N,4-N-triethyl-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide
CID 46932084
N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605
N-ethyl-N-(3-methylphenyl)-3-pyrrol-1-ylbenzamide
CID 110295328
4-(cyclopropylsulfamoyl)-N-ethyl-N-(3-methylphenyl)benzamide
CID 109058411
N-(3,5-dimethylphenyl)-N-ethylbenzamide
CID 52574489
N-ethyl-4-fluoro-2-methyl-N-(3-methylphenyl)benzamide
CID 115745612

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-N-triethyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,1-N,4-N-triethyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide (CID 109048470) is 1-N,1-N,4-N-triethyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,1-N,4-N-triethyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,1-N,4-N-triethyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide is CCN(CC)C(=O)c1ccc(C(=O)N(CC)c2cccc(C)c2)cc1.
What is the InChIKey of 1-N,1-N,4-N-triethyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide?
The InChIKey is DCHJKYSZBWWHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-5-22(6-2)20(24)17-11-13-18(14-12-17)21(25)23(7-3)19-10-8-9-16(4)15-19/h8-15H,5-7H2,1-4H3.
What are the key properties of 1-N,1-N,4-N-triethyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide?
1-N,1-N,4-N-triethyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide has a molecular weight of 338.45 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-N-triethyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109048470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).