1-N-tert-butyl-4-N-ethyl-4-N-phenylcyclohexane-1,4-dicarboxamide

C20H30N2O2 — CID 109149575

IUPAC1-N-tert-butyl-4-N-ethyl-4-N-phenylcyclohexane-1,4-dicarboxamide
SMILESCCN(C(=O)C1CCC(C(=O)NC(C)(C)C)CC1)c1ccccc1
InChIInChI=1S/C20H30N2O2/c1-5-22(17-9-7-6-8-10-17)19(24)16-13-11-15(12-14-16)18(23)21-20(2,3)4/h6-10,15-16H,5,11-14H2,1-4H3,(H,21,23)
InChIKeyCUMMYMRQAXQRGR-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.76
Rot. Bonds4

About 1-N-tert-butyl-4-N-ethyl-4-N-phenylcyclohexane-1,4-dicarboxamide

1-N-tert-butyl-4-N-ethyl-4-N-phenylcyclohexane-1,4-dicarboxamide (PubChem CID 109149575) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-N-tert-butyl-4-N-ethyl-4-N-phenylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-tert-butyl-4-N-ethyl-4-N-phenylcyclohexane-1,4-dicarboxamide
PubChem CID109149575
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name1-N-tert-butyl-4-N-ethyl-4-N-phenylcyclohexane-1,4-dicarboxamide
SMILESCCN(C(=O)C1CCC(C(=O)NC(C)(C)C)CC1)c1ccccc1
InChIInChI=1S/C20H30N2O2/c1-5-22(17-9-7-6-8-10-17)19(24)16-13-11-15(12-14-16)18(23)21-20(2,3)4/h6-10,15-16H,5,11-14H2,1-4H3,(H,21,23)
InChIKeyCUMMYMRQAXQRGR-UHFFFAOYSA-N
XLogP3.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-4-N-ethyl-4-N-phenylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-tert-butyl-4-N-ethyl-4-N-phenylcyclohexane-1,4-dicarboxamide (CID 109149575) is 1-N-tert-butyl-4-N-ethyl-4-N-phenylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-tert-butyl-4-N-ethyl-4-N-phenylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-tert-butyl-4-N-ethyl-4-N-phenylcyclohexane-1,4-dicarboxamide is CCN(C(=O)C1CCC(C(=O)NC(C)(C)C)CC1)c1ccccc1.
What is the InChIKey of 1-N-tert-butyl-4-N-ethyl-4-N-phenylcyclohexane-1,4-dicarboxamide?
The InChIKey is CUMMYMRQAXQRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-5-22(17-9-7-6-8-10-17)19(24)16-13-11-15(12-14-16)18(23)21-20(2,3)4/h6-10,15-16H,5,11-14H2,1-4H3,(H,21,23).
What are the key properties of 1-N-tert-butyl-4-N-ethyl-4-N-phenylcyclohexane-1,4-dicarboxamide?
1-N-tert-butyl-4-N-ethyl-4-N-phenylcyclohexane-1,4-dicarboxamide has a molecular weight of 330.47 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-4-N-ethyl-4-N-phenylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109149575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).