4-N-tert-butyl-1-N-(2-methyl-6-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide

C22H34N2O2 — CID 109149581

IUPAC4-N-tert-butyl-1-N-(2-methyl-6-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)C1CCC(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C22H34N2O2/c1-14(2)18-9-7-8-15(3)19(18)23-20(25)16-10-12-17(13-11-16)21(26)24-22(4,5)6/h7-9,14,16-17H,10-13H2,1-6H3,(H,23,25)(H,24,26)
InChIKeyHLVOKGWJEGYNMV-UHFFFAOYSA-N
MW358.53 g/mol
LogP4.78
Rot. Bonds4

About 4-N-tert-butyl-1-N-(2-methyl-6-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide

4-N-tert-butyl-1-N-(2-methyl-6-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109149581) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 4-N-tert-butyl-1-N-(2-methyl-6-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-tert-butyl-1-N-(2-methyl-6-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
PubChem CID109149581
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Name4-N-tert-butyl-1-N-(2-methyl-6-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)C1CCC(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C22H34N2O2/c1-14(2)18-9-7-8-15(3)19(18)23-20(25)16-10-12-17(13-11-16)21(26)24-22(4,5)6/h7-9,14,16-17H,10-13H2,1-6H3,(H,23,25)(H,24,26)
InChIKeyHLVOKGWJEGYNMV-UHFFFAOYSA-N
XLogP4.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672180
4-N,4-N-diethyl-1-N-(2-methyl-6-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109149435
N-(2-methyl-6-propan-2-ylphenyl)thiolane-3-carboxamide
CID 110858311
1-N-tert-butyl-2-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139597
N-[2,6-di(propan-2-yl)phenyl]cyclohexanecarboxamide
CID 729635
N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119263416
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
N-[2,6-di(propan-2-yl)phenyl]oxane-4-carboxamide
CID 31962742
(1S,2R,3S,4S)-3-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 51014204
2-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 5061547
N-(2-methyl-6-propan-2-ylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 113006911
2-methoxy-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 103029054

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-1-N-(2-methyl-6-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-tert-butyl-1-N-(2-methyl-6-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide (CID 109149581) is 4-N-tert-butyl-1-N-(2-methyl-6-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-tert-butyl-1-N-(2-methyl-6-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-tert-butyl-1-N-(2-methyl-6-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide is Cc1cccc(C(C)C)c1NC(=O)C1CCC(C(=O)NC(C)(C)C)CC1.
What is the InChIKey of 4-N-tert-butyl-1-N-(2-methyl-6-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is HLVOKGWJEGYNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-14(2)18-9-7-8-15(3)19(18)23-20(25)16-10-12-17(13-11-16)21(26)24-22(4,5)6/h7-9,14,16-17H,10-13H2,1-6H3,(H,23,25)(H,24,26).
What are the key properties of 4-N-tert-butyl-1-N-(2-methyl-6-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide?
4-N-tert-butyl-1-N-(2-methyl-6-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 358.53 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-1-N-(2-methyl-6-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109149581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).