3-cyclohexyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide

C20H28N2O2 — CID 7354609

IUPAC3-cyclohexyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)CCC3CCCCC3)c2c1
InChIInChI=1S/C20H28N2O2/c1-24-17-8-9-19-18(13-17)16(14-22-19)11-12-21-20(23)10-7-15-5-3-2-4-6-15/h8-9,13-15,22H,2-7,10-12H2,1H3,(H,21,23)
InChIKeyKUHIVXWDPVHRGU-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.20
Rot. Bonds7

About 3-cyclohexyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide

3-cyclohexyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide (PubChem CID 7354609) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 3-cyclohexyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
PubChem CID7354609
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name3-cyclohexyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)CCC3CCCCC3)c2c1
InChIInChI=1S/C20H28N2O2/c1-24-17-8-9-19-18(13-17)16(14-22-19)11-12-21-20(23)10-7-15-5-3-2-4-6-15/h8-9,13-15,22H,2-7,10-12H2,1H3,(H,21,23)
InChIKeyKUHIVXWDPVHRGU-UHFFFAOYSA-N
XLogP4.20
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide (CID 7354609) is 3-cyclohexyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide is COc1ccc2[nH]cc(CCNC(=O)CCC3CCCCC3)c2c1.
What is the InChIKey of 3-cyclohexyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide?
The InChIKey is KUHIVXWDPVHRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-24-17-8-9-19-18(13-17)16(14-22-19)11-12-21-20(23)10-7-15-5-3-2-4-6-15/h8-9,13-15,22H,2-7,10-12H2,1H3,(H,21,23).
What are the key properties of 3-cyclohexyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide?
3-cyclohexyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide has a molecular weight of 328.46 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide is sourced from PubChem (CID 7354609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).