4-acetyl-N-(4-tert-butyl-4-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide

C22H39NO2 — CID 122679814

IUPAC4-acetyl-N-(4-tert-butyl-4-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide
SMILESCC(=O)C1CCC(C(=O)NC2CCC(C(C)C)(C(C)(C)C)CC2)CC1
InChIInChI=1S/C22H39NO2/c1-15(2)22(21(4,5)6)13-11-19(12-14-22)23-20(25)18-9-7-17(8-10-18)16(3)24/h15,17-19H,7-14H2,1-6H3,(H,23,25)
InChIKeyRBLXNPRWQKDUTG-UHFFFAOYSA-N
MW349.56 g/mol
LogP5.13
Rot. Bonds4

About 4-acetyl-N-(4-tert-butyl-4-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide

4-acetyl-N-(4-tert-butyl-4-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide (PubChem CID 122679814) has the molecular formula C22H39NO2 and a molecular weight of 349.56 g/mol. Its IUPAC name is 4-acetyl-N-(4-tert-butyl-4-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(4-tert-butyl-4-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide
PubChem CID122679814
Molecular FormulaC22H39NO2
Molecular Weight349.56 g/mol
Exact Mass349.30
IUPAC Name4-acetyl-N-(4-tert-butyl-4-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide
SMILESCC(=O)C1CCC(C(=O)NC2CCC(C(C)C)(C(C)(C)C)CC2)CC1
InChIInChI=1S/C22H39NO2/c1-15(2)22(21(4,5)6)13-11-19(12-14-22)23-20(25)18-9-7-17(8-10-18)16(3)24/h15,17-19H,7-14H2,1-6H3,(H,23,25)
InChIKeyRBLXNPRWQKDUTG-UHFFFAOYSA-N
XLogP5.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.56
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-2,2-dimethyloxane-4-carboxamide
CID 122679848
N-(4-acetylcyclohexyl)-4,4-difluorocyclohexane-1-carboxamide
CID 58356090
N-(1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide
CID 25236585
4-tert-butyl-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 130233531
N-(4,4-dimethylcyclohexyl)-4-methylcyclohexane-1-carboxamide
CID 141160516
ethane;1-(4-propan-2-ylcyclohexyl)ethanone
CID 144871245
N-(4-acetylcyclohexyl)-2,2-dimethylpropanamide
CID 58356113
(4-tert-butyl-4-propan-2-ylcyclohexyl)-(4-prop-1-en-2-ylpiperazin-1-yl)methanone
CID 130230324
N-(4-acetylcyclohexyl)-2-hydroxy-2-methylpropanamide
CID 58356146
methyl 4-(cyclopropanecarbonylamino)cyclohexane-1-carboxylate
CID 115617179
cis-(1S,3R)-1-N,3-N-di(spiro[2.5]octan-6-yl)cyclopentane-1,3-dicarboxamide
CID 128713974
1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(4-tert-butyl-4-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-acetyl-N-(4-tert-butyl-4-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide (CID 122679814) is 4-acetyl-N-(4-tert-butyl-4-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-acetyl-N-(4-tert-butyl-4-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-acetyl-N-(4-tert-butyl-4-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide is CC(=O)C1CCC(C(=O)NC2CCC(C(C)C)(C(C)(C)C)CC2)CC1.
What is the InChIKey of 4-acetyl-N-(4-tert-butyl-4-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide?
The InChIKey is RBLXNPRWQKDUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39NO2/c1-15(2)22(21(4,5)6)13-11-19(12-14-22)23-20(25)18-9-7-17(8-10-18)16(3)24/h15,17-19H,7-14H2,1-6H3,(H,23,25).
What are the key properties of 4-acetyl-N-(4-tert-butyl-4-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide?
4-acetyl-N-(4-tert-butyl-4-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide has a molecular weight of 349.56 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(4-tert-butyl-4-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 122679814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).