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

C24H31NO2 — CID 15284553

IUPAC[4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-phenylpropanoate
SMILESCC(C(=O)OC1CCC(c2ccc(CN(C)C)cc2)CC1)c1ccccc1
InChIInChI=1S/C24H31NO2/c1-18(20-7-5-4-6-8-20)24(26)27-23-15-13-22(14-16-23)21-11-9-19(10-12-21)17-25(2)3/h4-12,18,22-23H,13-17H2,1-3H3
InChIKeyKFCRWMKSGBFYFQ-UHFFFAOYSA-N
MW365.52 g/mol
LogP5.12
Rot. Bonds6

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

[4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-phenylpropanoate (PubChem CID 15284553) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is [4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-phenylpropanoate.

Molecular Properties

Compound Name[4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-phenylpropanoate
PubChem CID15284553
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC Name[4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-phenylpropanoate
SMILESCC(C(=O)OC1CCC(c2ccc(CN(C)C)cc2)CC1)c1ccccc1
InChIInChI=1S/C24H31NO2/c1-18(20-7-5-4-6-8-20)24(26)27-23-15-13-22(14-16-23)21-11-9-19(10-12-21)17-25(2)3/h4-12,18,22-23H,13-17H2,1-3H3
InChIKeyKFCRWMKSGBFYFQ-UHFFFAOYSA-N
XLogP5.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 55.12
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-phenylpropanoate?
The IUPAC name of [4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-phenylpropanoate (CID 15284553) is [4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-phenylpropanoate.
What is the SMILES notation for [4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-phenylpropanoate?
The canonical SMILES for [4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-phenylpropanoate is CC(C(=O)OC1CCC(c2ccc(CN(C)C)cc2)CC1)c1ccccc1.
What is the InChIKey of [4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-phenylpropanoate?
The InChIKey is KFCRWMKSGBFYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO2/c1-18(20-7-5-4-6-8-20)24(26)27-23-15-13-22(14-16-23)21-11-9-19(10-12-21)17-25(2)3/h4-12,18,22-23H,13-17H2,1-3H3.
What are the key properties of [4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-phenylpropanoate?
[4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-phenylpropanoate has a molecular weight of 365.52 g/mol, XLogP of 5.12, 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-phenylpropanoate is sourced from PubChem (CID 15284553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).