N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-2,2-dimethyloxane-4-carboxamide

C21H39NO2 — CID 122679848

IUPACN-(4-tert-butyl-4-propan-2-ylcyclohexyl)-2,2-dimethyloxane-4-carboxamide
SMILESCC(C)C1(C(C)(C)C)CCC(NC(=O)C2CCOC(C)(C)C2)CC1
InChIInChI=1S/C21H39NO2/c1-15(2)21(19(3,4)5)11-8-17(9-12-21)22-18(23)16-10-13-24-20(6,7)14-16/h15-17H,8-14H2,1-7H3,(H,22,23)
InChIKeyUHGTXRWWZGYNQA-UHFFFAOYSA-N
MW337.55 g/mol
LogP4.94
Rot. Bonds3

About N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-2,2-dimethyloxane-4-carboxamide

N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-2,2-dimethyloxane-4-carboxamide (PubChem CID 122679848) has the molecular formula C21H39NO2 and a molecular weight of 337.55 g/mol. Its IUPAC name is N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-2,2-dimethyloxane-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-4-propan-2-ylcyclohexyl)-2,2-dimethyloxane-4-carboxamide
PubChem CID122679848
Molecular FormulaC21H39NO2
Molecular Weight337.55 g/mol
Exact Mass337.30
IUPAC NameN-(4-tert-butyl-4-propan-2-ylcyclohexyl)-2,2-dimethyloxane-4-carboxamide
SMILESCC(C)C1(C(C)(C)C)CCC(NC(=O)C2CCOC(C)(C)C2)CC1
InChIInChI=1S/C21H39NO2/c1-15(2)21(19(3,4)5)11-8-17(9-12-21)22-18(23)16-10-13-24-20(6,7)14-16/h15-17H,8-14H2,1-7H3,(H,22,23)
InChIKeyUHGTXRWWZGYNQA-UHFFFAOYSA-N
XLogP4.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.55
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-acetyl-N-(4-tert-butyl-4-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide
CID 122679814
(4R)-N-cyclohexyl-2,2-dimethyloxane-4-carboxamide
CID 929884
N-(4-tert-butyl-4-propan-2-ylcyclohexyl)benzamide
CID 122679834
4-tert-butyl-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 130233531
2,2-dimethyloxane-4-carbonyl cyanide
CID 142887757
N-(2,2-dimethyloxan-4-yl)-2-(methylamino)propanamide
CID 83033010
3-[(2,2-dimethyloxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 83028917
(2S)-2-amino-N-(2,2-dimethyloxan-4-yl)-3,3-dimethylbutanamide
CID 83033449
1-cyclohexyl-N-(2,2-dimethyloxan-4-yl)azetidine-3-carboxamide
CID 122152344
1-(2,2-dimethyloxan-4-yl)propan-1-one
CID 3342537
(4R)-2,2-dimethyl-N-(2-phenylethyl)oxane-4-carboxamide
CID 930235
N-(3,3-dimethylbutan-2-yl)-2,2-dimethyloxan-4-amine
CID 115896330

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-2,2-dimethyloxane-4-carboxamide?
The IUPAC name of N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-2,2-dimethyloxane-4-carboxamide (CID 122679848) is N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-2,2-dimethyloxane-4-carboxamide.
What is the SMILES notation for N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-2,2-dimethyloxane-4-carboxamide?
The canonical SMILES for N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-2,2-dimethyloxane-4-carboxamide is CC(C)C1(C(C)(C)C)CCC(NC(=O)C2CCOC(C)(C)C2)CC1.
What is the InChIKey of N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-2,2-dimethyloxane-4-carboxamide?
The InChIKey is UHGTXRWWZGYNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39NO2/c1-15(2)21(19(3,4)5)11-8-17(9-12-21)22-18(23)16-10-13-24-20(6,7)14-16/h15-17H,8-14H2,1-7H3,(H,22,23).
What are the key properties of N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-2,2-dimethyloxane-4-carboxamide?
N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-2,2-dimethyloxane-4-carboxamide has a molecular weight of 337.55 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-2,2-dimethyloxane-4-carboxamide is sourced from PubChem (CID 122679848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).