3-N-tert-butyl-1-N-cycloheptylbenzene-1,3-dicarboxamide

C19H28N2O2 — CID 109055977

IUPAC3-N-tert-butyl-1-N-cycloheptylbenzene-1,3-dicarboxamide
SMILESCC(C)(C)NC(=O)c1cccc(C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C19H28N2O2/c1-19(2,3)21-18(23)15-10-8-9-14(13-15)17(22)20-16-11-6-4-5-7-12-16/h8-10,13,16H,4-7,11-12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeySUVYJAOFGBXLQD-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.67
Rot. Bonds3

About 3-N-tert-butyl-1-N-cycloheptylbenzene-1,3-dicarboxamide

3-N-tert-butyl-1-N-cycloheptylbenzene-1,3-dicarboxamide (PubChem CID 109055977) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 3-N-tert-butyl-1-N-cycloheptylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-tert-butyl-1-N-cycloheptylbenzene-1,3-dicarboxamide
PubChem CID109055977
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name3-N-tert-butyl-1-N-cycloheptylbenzene-1,3-dicarboxamide
SMILESCC(C)(C)NC(=O)c1cccc(C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C19H28N2O2/c1-19(2,3)21-18(23)15-10-8-9-14(13-15)17(22)20-16-11-6-4-5-7-12-16/h8-10,13,16H,4-7,11-12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeySUVYJAOFGBXLQD-UHFFFAOYSA-N
XLogP3.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-N-tert-butyl-3-N-cycloheptylpyridine-3,5-dicarboxamide
CID 109106897
1-N-cyclohexyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050479
N-cyclooctyl-3-methylbenzamide
CID 966011
N-cyclohexyl-3-(2,2-dimethylpropanoylamino)benzamide
CID 17170559
3-(tert-butylsulfamoyl)-N-cyclopentylbenzamide
CID 9214321
N-tert-butyl-3-[6-(cyclohexylamino)pyrimidin-4-yl]benzamide
CID 53009873
N-cyclohexyl-3-(methoxyamino)benzamide
CID 142229646
3-carbamothioyl-N-cyclopentylbenzamide
CID 24691849
N-tert-butyl-3-[[2-(cyclohexylamino)acetyl]amino]benzamide
CID 54816609
N-cycloheptyl-3-(pyrrolidine-1-carbonyl)benzamide
CID 109051684
3-tert-butyl-N-cyclopropylbenzamide
CID 59732225
3-N-cyclohexyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109052202

Frequently Asked Questions

What is the IUPAC name of 3-N-tert-butyl-1-N-cycloheptylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-tert-butyl-1-N-cycloheptylbenzene-1,3-dicarboxamide (CID 109055977) is 3-N-tert-butyl-1-N-cycloheptylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-tert-butyl-1-N-cycloheptylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-tert-butyl-1-N-cycloheptylbenzene-1,3-dicarboxamide is CC(C)(C)NC(=O)c1cccc(C(=O)NC2CCCCCC2)c1.
What is the InChIKey of 3-N-tert-butyl-1-N-cycloheptylbenzene-1,3-dicarboxamide?
The InChIKey is SUVYJAOFGBXLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-19(2,3)21-18(23)15-10-8-9-14(13-15)17(22)20-16-11-6-4-5-7-12-16/h8-10,13,16H,4-7,11-12H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 3-N-tert-butyl-1-N-cycloheptylbenzene-1,3-dicarboxamide?
3-N-tert-butyl-1-N-cycloheptylbenzene-1,3-dicarboxamide has a molecular weight of 316.44 g/mol, XLogP of 3.67, 3 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-cycloheptylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109055977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).