[4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-cyclohexylacetate

C23H35NO2 — CID 12971690

IUPAC[4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-cyclohexylacetate
SMILESCN(C)Cc1ccc(C2CCC(OC(=O)CC3CCCCC3)CC2)cc1
InChIInChI=1S/C23H35NO2/c1-24(2)17-19-8-10-20(11-9-19)21-12-14-22(15-13-21)26-23(25)16-18-6-4-3-5-7-18/h8-11,18,21-22H,3-7,12-17H2,1-2H3
InChIKeyDWLPJHACZKCBKX-UHFFFAOYSA-N
MW357.54 g/mol
LogP5.29
Rot. Bonds6

About [4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-cyclohexylacetate

[4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-cyclohexylacetate (PubChem CID 12971690) has the molecular formula C23H35NO2 and a molecular weight of 357.54 g/mol. Its IUPAC name is [4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-cyclohexylacetate.

Molecular Properties

Compound Name[4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-cyclohexylacetate
PubChem CID12971690
Molecular FormulaC23H35NO2
Molecular Weight357.54 g/mol
Exact Mass357.27
IUPAC Name[4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-cyclohexylacetate
SMILESCN(C)Cc1ccc(C2CCC(OC(=O)CC3CCCCC3)CC2)cc1
InChIInChI=1S/C23H35NO2/c1-24(2)17-19-8-10-20(11-9-19)21-12-14-22(15-13-21)26-23(25)16-18-6-4-3-5-7-18/h8-11,18,21-22H,3-7,12-17H2,1-2H3
InChIKeyDWLPJHACZKCBKX-UHFFFAOYSA-N
XLogP5.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.54
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-cyclohexylacetate?
The IUPAC name of [4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-cyclohexylacetate (CID 12971690) is [4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-cyclohexylacetate.
What is the SMILES notation for [4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-cyclohexylacetate?
The canonical SMILES for [4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-cyclohexylacetate is CN(C)Cc1ccc(C2CCC(OC(=O)CC3CCCCC3)CC2)cc1.
What is the InChIKey of [4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-cyclohexylacetate?
The InChIKey is DWLPJHACZKCBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO2/c1-24(2)17-19-8-10-20(11-9-19)21-12-14-22(15-13-21)26-23(25)16-18-6-4-3-5-7-18/h8-11,18,21-22H,3-7,12-17H2,1-2H3.
What are the key properties of [4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-cyclohexylacetate?
[4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-cyclohexylacetate has a molecular weight of 357.54 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-cyclohexylacetate is sourced from PubChem (CID 12971690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).