N-[3-cyclohexyl-1-(4-hydroxyphenyl)-2-oxopropyl]-N-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)acetamide

C33H36N2O5 — CID 147279854

IUPACN-[3-cyclohexyl-1-(4-hydroxyphenyl)-2-oxopropyl]-N-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)acetamide
SMILESCOc1ccc(N(C(=O)Cc2c[nH]c3ccccc23)C(C(=O)CC2CCCCC2)c2ccc(O)cc2)cc1OC
InChIInChI=1S/C33H36N2O5/c1-39-30-17-14-25(20-31(30)40-2)35(32(38)19-24-21-34-28-11-7-6-10-27(24)28)33(23-12-15-26(36)16-13-23)29(37)18-22-8-4-3-5-9-22/h6-7,10-17,20-22,33-34,36H,3-5,8-9,18-19H2,1-2H3
InChIKeyCSBWBERPAMHOKD-UHFFFAOYSA-N
MW540.66 g/mol
LogP6.75
Rot. Bonds10

About N-[3-cyclohexyl-1-(4-hydroxyphenyl)-2-oxopropyl]-N-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)acetamide

N-[3-cyclohexyl-1-(4-hydroxyphenyl)-2-oxopropyl]-N-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)acetamide (PubChem CID 147279854) has the molecular formula C33H36N2O5 and a molecular weight of 540.66 g/mol. Its IUPAC name is N-[3-cyclohexyl-1-(4-hydroxyphenyl)-2-oxopropyl]-N-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-cyclohexyl-1-(4-hydroxyphenyl)-2-oxopropyl]-N-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)acetamide
PubChem CID147279854
Molecular FormulaC33H36N2O5
Molecular Weight540.66 g/mol
Exact Mass540.26
IUPAC NameN-[3-cyclohexyl-1-(4-hydroxyphenyl)-2-oxopropyl]-N-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)acetamide
SMILESCOc1ccc(N(C(=O)Cc2c[nH]c3ccccc23)C(C(=O)CC2CCCCC2)c2ccc(O)cc2)cc1OC
InChIInChI=1S/C33H36N2O5/c1-39-30-17-14-25(20-31(30)40-2)35(32(38)19-24-21-34-28-11-7-6-10-27(24)28)33(23-12-15-26(36)16-13-23)29(37)18-22-8-4-3-5-9-22/h6-7,10-17,20-22,33-34,36H,3-5,8-9,18-19H2,1-2H3
InChIKeyCSBWBERPAMHOKD-UHFFFAOYSA-N
XLogP6.75
TPSA91.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.66
LogP ≤ 56.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyclohexyl-1-(4-hydroxyphenyl)-2-oxopropyl]-N-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[3-cyclohexyl-1-(4-hydroxyphenyl)-2-oxopropyl]-N-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)acetamide (CID 147279854) is N-[3-cyclohexyl-1-(4-hydroxyphenyl)-2-oxopropyl]-N-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[3-cyclohexyl-1-(4-hydroxyphenyl)-2-oxopropyl]-N-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[3-cyclohexyl-1-(4-hydroxyphenyl)-2-oxopropyl]-N-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)acetamide is COc1ccc(N(C(=O)Cc2c[nH]c3ccccc23)C(C(=O)CC2CCCCC2)c2ccc(O)cc2)cc1OC.
What is the InChIKey of N-[3-cyclohexyl-1-(4-hydroxyphenyl)-2-oxopropyl]-N-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)acetamide?
The InChIKey is CSBWBERPAMHOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N2O5/c1-39-30-17-14-25(20-31(30)40-2)35(32(38)19-24-21-34-28-11-7-6-10-27(24)28)33(23-12-15-26(36)16-13-23)29(37)18-22-8-4-3-5-9-22/h6-7,10-17,20-22,33-34,36H,3-5,8-9,18-19H2,1-2H3.
What are the key properties of N-[3-cyclohexyl-1-(4-hydroxyphenyl)-2-oxopropyl]-N-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)acetamide?
N-[3-cyclohexyl-1-(4-hydroxyphenyl)-2-oxopropyl]-N-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)acetamide has a molecular weight of 540.66 g/mol, XLogP of 6.75, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclohexyl-1-(4-hydroxyphenyl)-2-oxopropyl]-N-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 147279854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).