3-N-tert-butyl-1-N-(4-ethylphenyl)benzene-1,3-dicarboxamide

C20H24N2O2 — CID 109056003

IUPAC3-N-tert-butyl-1-N-(4-ethylphenyl)benzene-1,3-dicarboxamide
SMILESCCc1ccc(NC(=O)c2cccc(C(=O)NC(C)(C)C)c2)cc1
InChIInChI=1S/C20H24N2O2/c1-5-14-9-11-17(12-10-14)21-18(23)15-7-6-8-16(13-15)19(24)22-20(2,3)4/h6-13H,5H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyKFOMVPXKBBUBSL-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.03
Rot. Bonds4

About 3-N-tert-butyl-1-N-(4-ethylphenyl)benzene-1,3-dicarboxamide

3-N-tert-butyl-1-N-(4-ethylphenyl)benzene-1,3-dicarboxamide (PubChem CID 109056003) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-N-tert-butyl-1-N-(4-ethylphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-tert-butyl-1-N-(4-ethylphenyl)benzene-1,3-dicarboxamide
PubChem CID109056003
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name3-N-tert-butyl-1-N-(4-ethylphenyl)benzene-1,3-dicarboxamide
SMILESCCc1ccc(NC(=O)c2cccc(C(=O)NC(C)(C)C)c2)cc1
InChIInChI=1S/C20H24N2O2/c1-5-14-9-11-17(12-10-14)21-18(23)15-7-6-8-16(13-15)19(24)22-20(2,3)4/h6-13H,5H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyKFOMVPXKBBUBSL-UHFFFAOYSA-N
XLogP4.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(4-ethylphenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050379
N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide
CID 2684380
3-N-tert-butyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109055998
N-(4-ethylphenyl)benzamide
CID 774063
3-N-butan-2-yl-1-N-(4-ethylphenyl)benzene-1,3-dicarboxamide
CID 109051525
1-N-(3-acetamidophenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide
CID 109056044
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 28639773
N-[4-(tert-butylcarbamoyl)phenyl]-3-chlorobenzamide
CID 17199504
3-N-tert-butyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109055991
3-N-tert-butyl-1-N-(4-pyrrolidin-1-ylphenyl)benzene-1,3-dicarboxamide
CID 109056053
1-N-(4-bromo-3-methylphenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide
CID 109056065
3-N-tert-butyl-1-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide
CID 109056054

Frequently Asked Questions

What is the IUPAC name of 3-N-tert-butyl-1-N-(4-ethylphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-tert-butyl-1-N-(4-ethylphenyl)benzene-1,3-dicarboxamide (CID 109056003) is 3-N-tert-butyl-1-N-(4-ethylphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-tert-butyl-1-N-(4-ethylphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-tert-butyl-1-N-(4-ethylphenyl)benzene-1,3-dicarboxamide is CCc1ccc(NC(=O)c2cccc(C(=O)NC(C)(C)C)c2)cc1.
What is the InChIKey of 3-N-tert-butyl-1-N-(4-ethylphenyl)benzene-1,3-dicarboxamide?
The InChIKey is KFOMVPXKBBUBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-5-14-9-11-17(12-10-14)21-18(23)15-7-6-8-16(13-15)19(24)22-20(2,3)4/h6-13H,5H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of 3-N-tert-butyl-1-N-(4-ethylphenyl)benzene-1,3-dicarboxamide?
3-N-tert-butyl-1-N-(4-ethylphenyl)benzene-1,3-dicarboxamide has a molecular weight of 324.42 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-tert-butyl-1-N-(4-ethylphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109056003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).