N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(4-propan-2-yloxyphenyl)indol-1-yl]acetamide

C28H37N3O2 — CID 25050377

IUPACN-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(4-propan-2-yloxyphenyl)indol-1-yl]acetamide
SMILESCC(C)Oc1ccc(-c2ccc3ccn(CC(=O)NCCN(C)C4CCCCC4)c3c2)cc1
InChIInChI=1S/C28H37N3O2/c1-21(2)33-26-13-11-22(12-14-26)24-10-9-23-15-17-31(27(23)19-24)20-28(32)29-16-18-30(3)25-7-5-4-6-8-25/h9-15,17,19,21,25H,4-8,16,18,20H2,1-3H3,(H,29,32)
InChIKeyOITNUYZKBYSYQC-UHFFFAOYSA-N
MW447.62 g/mol
LogP5.48
Rot. Bonds9

About N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(4-propan-2-yloxyphenyl)indol-1-yl]acetamide

N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(4-propan-2-yloxyphenyl)indol-1-yl]acetamide (PubChem CID 25050377) has the molecular formula C28H37N3O2 and a molecular weight of 447.62 g/mol. Its IUPAC name is N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(4-propan-2-yloxyphenyl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(4-propan-2-yloxyphenyl)indol-1-yl]acetamide
PubChem CID25050377
Molecular FormulaC28H37N3O2
Molecular Weight447.62 g/mol
Exact Mass447.29
IUPAC NameN-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(4-propan-2-yloxyphenyl)indol-1-yl]acetamide
SMILESCC(C)Oc1ccc(-c2ccc3ccn(CC(=O)NCCN(C)C4CCCCC4)c3c2)cc1
InChIInChI=1S/C28H37N3O2/c1-21(2)33-26-13-11-22(12-14-26)24-10-9-23-15-17-31(27(23)19-24)20-28(32)29-16-18-30(3)25-7-5-4-6-8-25/h9-15,17,19,21,25H,4-8,16,18,20H2,1-3H3,(H,29,32)
InChIKeyOITNUYZKBYSYQC-UHFFFAOYSA-N
XLogP5.48
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.62
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(4-propan-2-yloxyphenyl)indol-1-yl]acetamide?
The IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(4-propan-2-yloxyphenyl)indol-1-yl]acetamide (CID 25050377) is N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(4-propan-2-yloxyphenyl)indol-1-yl]acetamide.
What is the SMILES notation for N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(4-propan-2-yloxyphenyl)indol-1-yl]acetamide?
The canonical SMILES for N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(4-propan-2-yloxyphenyl)indol-1-yl]acetamide is CC(C)Oc1ccc(-c2ccc3ccn(CC(=O)NCCN(C)C4CCCCC4)c3c2)cc1.
What is the InChIKey of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(4-propan-2-yloxyphenyl)indol-1-yl]acetamide?
The InChIKey is OITNUYZKBYSYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O2/c1-21(2)33-26-13-11-22(12-14-26)24-10-9-23-15-17-31(27(23)19-24)20-28(32)29-16-18-30(3)25-7-5-4-6-8-25/h9-15,17,19,21,25H,4-8,16,18,20H2,1-3H3,(H,29,32).
What are the key properties of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(4-propan-2-yloxyphenyl)indol-1-yl]acetamide?
N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(4-propan-2-yloxyphenyl)indol-1-yl]acetamide has a molecular weight of 447.62 g/mol, XLogP of 5.48, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(4-propan-2-yloxyphenyl)indol-1-yl]acetamide is sourced from PubChem (CID 25050377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).