3-cycloheptyl-N-[1-[2-(3-hydroxyoxetan-3-yl)ethyl]-4-methylindol-3-yl]propanamide

C24H34N2O3 — CID 71077892

IUPAC3-cycloheptyl-N-[1-[2-(3-hydroxyoxetan-3-yl)ethyl]-4-methylindol-3-yl]propanamide
SMILESCc1cccc2c1c(NC(=O)CCC1CCCCCC1)cn2CCC1(O)COC1
InChIInChI=1S/C24H34N2O3/c1-18-7-6-10-21-23(18)20(15-26(21)14-13-24(28)16-29-17-24)25-22(27)12-11-19-8-4-2-3-5-9-19/h6-7,10,15,19,28H,2-5,8-9,11-14,16-17H2,1H3,(H,25,27)
InChIKeyOXZLEISFCUVNGF-UHFFFAOYSA-N
MW398.55 g/mol
LogP4.79
Rot. Bonds7

About 3-cycloheptyl-N-[1-[2-(3-hydroxyoxetan-3-yl)ethyl]-4-methylindol-3-yl]propanamide

3-cycloheptyl-N-[1-[2-(3-hydroxyoxetan-3-yl)ethyl]-4-methylindol-3-yl]propanamide (PubChem CID 71077892) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is 3-cycloheptyl-N-[1-[2-(3-hydroxyoxetan-3-yl)ethyl]-4-methylindol-3-yl]propanamide.

Molecular Properties

Compound Name3-cycloheptyl-N-[1-[2-(3-hydroxyoxetan-3-yl)ethyl]-4-methylindol-3-yl]propanamide
PubChem CID71077892
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC Name3-cycloheptyl-N-[1-[2-(3-hydroxyoxetan-3-yl)ethyl]-4-methylindol-3-yl]propanamide
SMILESCc1cccc2c1c(NC(=O)CCC1CCCCCC1)cn2CCC1(O)COC1
InChIInChI=1S/C24H34N2O3/c1-18-7-6-10-21-23(18)20(15-26(21)14-13-24(28)16-29-17-24)25-22(27)12-11-19-8-4-2-3-5-9-19/h6-7,10,15,19,28H,2-5,8-9,11-14,16-17H2,1H3,(H,25,27)
InChIKeyOXZLEISFCUVNGF-UHFFFAOYSA-N
XLogP4.79
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cycloheptyl-N-[1-[2-(3-hydroxyoxetan-3-yl)ethyl]-4-methylindol-3-yl]propanamide?
The IUPAC name of 3-cycloheptyl-N-[1-[2-(3-hydroxyoxetan-3-yl)ethyl]-4-methylindol-3-yl]propanamide (CID 71077892) is 3-cycloheptyl-N-[1-[2-(3-hydroxyoxetan-3-yl)ethyl]-4-methylindol-3-yl]propanamide.
What is the SMILES notation for 3-cycloheptyl-N-[1-[2-(3-hydroxyoxetan-3-yl)ethyl]-4-methylindol-3-yl]propanamide?
The canonical SMILES for 3-cycloheptyl-N-[1-[2-(3-hydroxyoxetan-3-yl)ethyl]-4-methylindol-3-yl]propanamide is Cc1cccc2c1c(NC(=O)CCC1CCCCCC1)cn2CCC1(O)COC1.
What is the InChIKey of 3-cycloheptyl-N-[1-[2-(3-hydroxyoxetan-3-yl)ethyl]-4-methylindol-3-yl]propanamide?
The InChIKey is OXZLEISFCUVNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3/c1-18-7-6-10-21-23(18)20(15-26(21)14-13-24(28)16-29-17-24)25-22(27)12-11-19-8-4-2-3-5-9-19/h6-7,10,15,19,28H,2-5,8-9,11-14,16-17H2,1H3,(H,25,27).
What are the key properties of 3-cycloheptyl-N-[1-[2-(3-hydroxyoxetan-3-yl)ethyl]-4-methylindol-3-yl]propanamide?
3-cycloheptyl-N-[1-[2-(3-hydroxyoxetan-3-yl)ethyl]-4-methylindol-3-yl]propanamide has a molecular weight of 398.55 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptyl-N-[1-[2-(3-hydroxyoxetan-3-yl)ethyl]-4-methylindol-3-yl]propanamide is sourced from PubChem (CID 71077892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).