N-benzyl-N-cyclohexyl-2-(4-methoxycyclohexyl)acetamide

C22H33NO2 — CID 166186727

IUPACN-benzyl-N-cyclohexyl-2-(4-methoxycyclohexyl)acetamide
SMILESCOC1CCC(CC(=O)N(Cc2ccccc2)C2CCCCC2)CC1
InChIInChI=1S/C22H33NO2/c1-25-21-14-12-18(13-15-21)16-22(24)23(20-10-6-3-7-11-20)17-19-8-4-2-5-9-19/h2,4-5,8-9,18,20-21H,3,6-7,10-17H2,1H3
InChIKeyCURHJXVTRLLCRO-UHFFFAOYSA-N
MW343.51 g/mol
LogP4.94
Rot. Bonds6

About N-benzyl-N-cyclohexyl-2-(4-methoxycyclohexyl)acetamide

N-benzyl-N-cyclohexyl-2-(4-methoxycyclohexyl)acetamide (PubChem CID 166186727) has the molecular formula C22H33NO2 and a molecular weight of 343.51 g/mol. Its IUPAC name is N-benzyl-N-cyclohexyl-2-(4-methoxycyclohexyl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-cyclohexyl-2-(4-methoxycyclohexyl)acetamide
PubChem CID166186727
Molecular FormulaC22H33NO2
Molecular Weight343.51 g/mol
Exact Mass343.25
IUPAC NameN-benzyl-N-cyclohexyl-2-(4-methoxycyclohexyl)acetamide
SMILESCOC1CCC(CC(=O)N(Cc2ccccc2)C2CCCCC2)CC1
InChIInChI=1S/C22H33NO2/c1-25-21-14-12-18(13-15-21)16-22(24)23(20-10-6-3-7-11-20)17-19-8-4-2-5-9-19/h2,4-5,8-9,18,20-21H,3,6-7,10-17H2,1H3
InChIKeyCURHJXVTRLLCRO-UHFFFAOYSA-N
XLogP4.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 61030052
3-amino-N-benzyl-N-cycloheptylpropanamide
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CID 112760283
7-amino-N-benzyl-N-cyclohexylheptanamide
CID 119729560
N-benzyl-2-cyclopentyl-N-(2-methoxyethyl)acetamide
CID 86975819
N-benzyl-N-cyclobutyl-2-(6-oxopiperidin-2-yl)acetamide
CID 146142215
N-[(4-aminophenyl)methyl]-2-cyclobutyl-N-cyclopropylacetamide
CID 103161534
ethyl 2-[benzyl(cycloheptyl)amino]acetate
CID 82925724
N-benzyl-N-cyclohexyl-2-(2-oxoazepan-1-yl)acetamide
CID 71890310
(2R)-2-amino-N-benzyl-N-cyclohexylpropanamide;hydrochloride
CID 119042549
ethyl 2-[benzyl-(2-cyclobutylacetyl)amino]acetate
CID 103707142
N-benzyl-2-(cyclopentylamino)-N-cyclopropylacetamide
CID 60846421

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclohexyl-2-(4-methoxycyclohexyl)acetamide?
The IUPAC name of N-benzyl-N-cyclohexyl-2-(4-methoxycyclohexyl)acetamide (CID 166186727) is N-benzyl-N-cyclohexyl-2-(4-methoxycyclohexyl)acetamide.
What is the SMILES notation for N-benzyl-N-cyclohexyl-2-(4-methoxycyclohexyl)acetamide?
The canonical SMILES for N-benzyl-N-cyclohexyl-2-(4-methoxycyclohexyl)acetamide is COC1CCC(CC(=O)N(Cc2ccccc2)C2CCCCC2)CC1.
What is the InChIKey of N-benzyl-N-cyclohexyl-2-(4-methoxycyclohexyl)acetamide?
The InChIKey is CURHJXVTRLLCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO2/c1-25-21-14-12-18(13-15-21)16-22(24)23(20-10-6-3-7-11-20)17-19-8-4-2-5-9-19/h2,4-5,8-9,18,20-21H,3,6-7,10-17H2,1H3.
What are the key properties of N-benzyl-N-cyclohexyl-2-(4-methoxycyclohexyl)acetamide?
N-benzyl-N-cyclohexyl-2-(4-methoxycyclohexyl)acetamide has a molecular weight of 343.51 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclohexyl-2-(4-methoxycyclohexyl)acetamide is sourced from PubChem (CID 166186727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).