N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(4-methylphenyl)acetamide

C18H27NO2 — CID 65119553

IUPACN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCC2(O)CCC(C)(C)CC2)cc1
InChIInChI=1S/C18H27NO2/c1-14-4-6-15(7-5-14)12-16(20)19-13-18(21)10-8-17(2,3)9-11-18/h4-7,21H,8-13H2,1-3H3,(H,19,20)
InChIKeyTZVPHEWGHIOGHO-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.99
Rot. Bonds4

About N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(4-methylphenyl)acetamide

N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(4-methylphenyl)acetamide (PubChem CID 65119553) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(4-methylphenyl)acetamide
PubChem CID65119553
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCC2(O)CCC(C)(C)CC2)cc1
InChIInChI=1S/C18H27NO2/c1-14-4-6-15(7-5-14)12-16(20)19-13-18(21)10-8-17(2,3)9-11-18/h4-7,21H,8-13H2,1-3H3,(H,19,20)
InChIKeyTZVPHEWGHIOGHO-UHFFFAOYSA-N
XLogP2.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-phenylacetamide
CID 65119076
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-thiophen-3-ylacetamide
CID 65119506
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide
CID 113313642
4-(bromomethyl)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 102851764
N-[(1-hydroxycyclobutyl)methyl]-2-(4-hydroxyphenyl)acetamide
CID 115696780
5-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]furan-2-carboxamide
CID 65119319
N-[(1-hydroxycycloheptyl)methyl]-2-(4-hydroxyphenyl)acetamide
CID 65122861
3-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-3-oxopropanoic acid
CID 65123311
2-(5-amino-2-pyridinyl)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide
CID 107339008
N-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]-4-methylbenzamide
CID 65113599
2-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119121
4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119615

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(4-methylphenyl)acetamide (CID 65119553) is N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)NCC2(O)CCC(C)(C)CC2)cc1.
What is the InChIKey of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(4-methylphenyl)acetamide?
The InChIKey is TZVPHEWGHIOGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-14-4-6-15(7-5-14)12-16(20)19-13-18(21)10-8-17(2,3)9-11-18/h4-7,21H,8-13H2,1-3H3,(H,19,20).
What are the key properties of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(4-methylphenyl)acetamide?
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(4-methylphenyl)acetamide has a molecular weight of 289.42 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 65119553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).