4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide

C20H30N2O2 — CID 109144556

IUPAC4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCC(C)NC(=O)C1CCC(C(=O)Nc2ccccc2C(C)C)CC1
InChIInChI=1S/C20H30N2O2/c1-13(2)17-7-5-6-8-18(17)22-20(24)16-11-9-15(10-12-16)19(23)21-14(3)4/h5-8,13-16H,9-12H2,1-4H3,(H,21,23)(H,22,24)
InChIKeySOAIZXWHKAPYQG-UHFFFAOYSA-N
MW330.47 g/mol
LogP4.08
Rot. Bonds5

About 4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide

4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109144556) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
PubChem CID109144556
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCC(C)NC(=O)C1CCC(C(=O)Nc2ccccc2C(C)C)CC1
InChIInChI=1S/C20H30N2O2/c1-13(2)17-7-5-6-8-18(17)22-20(24)16-11-9-15(10-12-16)19(23)21-14(3)4/h5-8,13-16H,9-12H2,1-4H3,(H,21,23)(H,22,24)
InChIKeySOAIZXWHKAPYQG-UHFFFAOYSA-N
XLogP4.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide (CID 109144556) is 4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide is CC(C)NC(=O)C1CCC(C(=O)Nc2ccccc2C(C)C)CC1.
What is the InChIKey of 4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is SOAIZXWHKAPYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-13(2)17-7-5-6-8-18(17)22-20(24)16-11-9-15(10-12-16)19(23)21-14(3)4/h5-8,13-16H,9-12H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of 4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide?
4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 330.47 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109144556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).