1-N-cyclohexyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide

C17H24N2O2 — CID 109050479

IUPAC1-N-cyclohexyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide
SMILESCC(C)NC(=O)c1cccc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C17H24N2O2/c1-12(2)18-16(20)13-7-6-8-14(11-13)17(21)19-15-9-4-3-5-10-15/h6-8,11-12,15H,3-5,9-10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeySWILURCSGAQDBG-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.89
Rot. Bonds4

About 1-N-cyclohexyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide

1-N-cyclohexyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide (PubChem CID 109050479) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-N-cyclohexyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclohexyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide
PubChem CID109050479
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-N-cyclohexyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide
SMILESCC(C)NC(=O)c1cccc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C17H24N2O2/c1-12(2)18-16(20)13-7-6-8-14(11-13)17(21)19-15-9-4-3-5-10-15/h6-8,11-12,15H,3-5,9-10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeySWILURCSGAQDBG-UHFFFAOYSA-N
XLogP2.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-butan-2-yl-1-N-cyclopentylbenzene-1,3-dicarboxamide
CID 109051430
3-(cycloheptylamino)-N-propan-2-ylbenzamide
CID 43693920
N-cyclooctyl-3-methylbenzamide
CID 966011
N-cyclohexyl-3-(methoxyamino)benzamide
CID 142229646
3-N-tert-butyl-1-N-cycloheptylbenzene-1,3-dicarboxamide
CID 109055977
3-N-cyclohexyl-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109052210
N-[1-(cyclooctylamino)-1-oxopropan-2-yl]benzamide
CID 18158922
methyl 4-[[3-(cycloheptylcarbamoyl)benzoyl]amino]benzoate
CID 109056131
3-carbamothioyl-N-cyclopentylbenzamide
CID 24691849
N-cycloheptyl-3-(pyrrolidine-1-carbonyl)benzamide
CID 109051684
3-N-cyclohexyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109052202
N-cyclohexyl-3-propoxybenzamide
CID 4960053

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-cyclohexyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide (CID 109050479) is 1-N-cyclohexyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-cyclohexyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-cyclohexyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide is CC(C)NC(=O)c1cccc(C(=O)NC2CCCCC2)c1.
What is the InChIKey of 1-N-cyclohexyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide?
The InChIKey is SWILURCSGAQDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12(2)18-16(20)13-7-6-8-14(11-13)17(21)19-15-9-4-3-5-10-15/h6-8,11-12,15H,3-5,9-10H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 1-N-cyclohexyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide?
1-N-cyclohexyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109050479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).