N-(4-tert-butyl-4-propan-2-ylcyclohexyl)benzamide

C20H31NO — CID 122679834

IUPACN-(4-tert-butyl-4-propan-2-ylcyclohexyl)benzamide
SMILESCC(C)C1(C(C)(C)C)CCC(NC(=O)c2ccccc2)CC1
InChIInChI=1S/C20H31NO/c1-15(2)20(19(3,4)5)13-11-17(12-14-20)21-18(22)16-9-7-6-8-10-16/h6-10,15,17H,11-14H2,1-5H3,(H,21,22)
InChIKeyWNJIFOOFZHDIDZ-UHFFFAOYSA-N
MW301.47 g/mol
LogP5.05
Rot. Bonds3

About N-(4-tert-butyl-4-propan-2-ylcyclohexyl)benzamide

N-(4-tert-butyl-4-propan-2-ylcyclohexyl)benzamide (PubChem CID 122679834) has the molecular formula C20H31NO and a molecular weight of 301.47 g/mol. Its IUPAC name is N-(4-tert-butyl-4-propan-2-ylcyclohexyl)benzamide.

Molecular Properties

Compound NameN-(4-tert-butyl-4-propan-2-ylcyclohexyl)benzamide
PubChem CID122679834
Molecular FormulaC20H31NO
Molecular Weight301.47 g/mol
Exact Mass301.24
IUPAC NameN-(4-tert-butyl-4-propan-2-ylcyclohexyl)benzamide
SMILESCC(C)C1(C(C)(C)C)CCC(NC(=O)c2ccccc2)CC1
InChIInChI=1S/C20H31NO/c1-15(2)20(19(3,4)5)13-11-17(12-14-20)21-18(22)16-9-7-6-8-10-16/h6-10,15,17H,11-14H2,1-5H3,(H,21,22)
InChIKeyWNJIFOOFZHDIDZ-UHFFFAOYSA-N
XLogP5.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.47
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-benzamido-4-methylcyclohexyl)carbamic acid
CID 156534206
N-(1-tert-butylpiperidin-4-yl)benzamide
CID 61036493
N-[4-(2-methylpropyl)cyclohexyl]benzamide
CID 165058594
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
N-(4-methylsulfanylcyclohexyl)benzamide
CID 114124420
N-[(3R)-1-tert-butylpyrrolidin-3-yl]benzamide
CID 155637447
N-[1-(cyclooctylamino)-1-oxopropan-2-yl]benzamide
CID 18158922
4-acetyl-N-(4-tert-butyl-4-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide
CID 122679814
N-[(3S)-5,5-dimethyloxolan-3-yl]benzamide
CID 11138618
N-cyclohexyl-5-methylcyclodeca-1,3,5,7,9-pentaene-1-carboxamide
CID 171081015
N-[3-(2-aminopropan-2-yl)cyclopentyl]benzamide
CID 175565792
4-benzyl-N-cyclopropylbenzamide
CID 45086871

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-4-propan-2-ylcyclohexyl)benzamide?
The IUPAC name of N-(4-tert-butyl-4-propan-2-ylcyclohexyl)benzamide (CID 122679834) is N-(4-tert-butyl-4-propan-2-ylcyclohexyl)benzamide.
What is the SMILES notation for N-(4-tert-butyl-4-propan-2-ylcyclohexyl)benzamide?
The canonical SMILES for N-(4-tert-butyl-4-propan-2-ylcyclohexyl)benzamide is CC(C)C1(C(C)(C)C)CCC(NC(=O)c2ccccc2)CC1.
What is the InChIKey of N-(4-tert-butyl-4-propan-2-ylcyclohexyl)benzamide?
The InChIKey is WNJIFOOFZHDIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO/c1-15(2)20(19(3,4)5)13-11-17(12-14-20)21-18(22)16-9-7-6-8-10-16/h6-10,15,17H,11-14H2,1-5H3,(H,21,22).
What are the key properties of N-(4-tert-butyl-4-propan-2-ylcyclohexyl)benzamide?
N-(4-tert-butyl-4-propan-2-ylcyclohexyl)benzamide has a molecular weight of 301.47 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-4-propan-2-ylcyclohexyl)benzamide is sourced from PubChem (CID 122679834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).