ethyl 2-[1-(cyclohexylmethyl)-5-methoxy-2-methylindol-3-yl]acetate

C21H29NO3 — CID 10759813

IUPACethyl 2-[1-(cyclohexylmethyl)-5-methoxy-2-methylindol-3-yl]acetate
SMILESCCOC(=O)Cc1c(C)n(CC2CCCCC2)c2ccc(OC)cc12
InChIInChI=1S/C21H29NO3/c1-4-25-21(23)13-18-15(2)22(14-16-8-6-5-7-9-16)20-11-10-17(24-3)12-19(18)20/h10-12,16H,4-9,13-14H2,1-3H3
InChIKeyBHQOJOFHZNVDAZ-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.64
Rot. Bonds6

About ethyl 2-[1-(cyclohexylmethyl)-5-methoxy-2-methylindol-3-yl]acetate

ethyl 2-[1-(cyclohexylmethyl)-5-methoxy-2-methylindol-3-yl]acetate (PubChem CID 10759813) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is ethyl 2-[1-(cyclohexylmethyl)-5-methoxy-2-methylindol-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(cyclohexylmethyl)-5-methoxy-2-methylindol-3-yl]acetate
PubChem CID10759813
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Nameethyl 2-[1-(cyclohexylmethyl)-5-methoxy-2-methylindol-3-yl]acetate
SMILESCCOC(=O)Cc1c(C)n(CC2CCCCC2)c2ccc(OC)cc12
InChIInChI=1S/C21H29NO3/c1-4-25-21(23)13-18-15(2)22(14-16-8-6-5-7-9-16)20-11-10-17(24-3)12-19(18)20/h10-12,16H,4-9,13-14H2,1-3H3
InChIKeyBHQOJOFHZNVDAZ-UHFFFAOYSA-N
XLogP4.64
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze ethyl 2-[1-(cyclohexylmethyl)-5-methoxy-2-methylindol-3-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(cyclohexylmethyl)-5-methoxy-2-methylindol-3-yl]acetate?
The IUPAC name of ethyl 2-[1-(cyclohexylmethyl)-5-methoxy-2-methylindol-3-yl]acetate (CID 10759813) is ethyl 2-[1-(cyclohexylmethyl)-5-methoxy-2-methylindol-3-yl]acetate.
What is the SMILES notation for ethyl 2-[1-(cyclohexylmethyl)-5-methoxy-2-methylindol-3-yl]acetate?
The canonical SMILES for ethyl 2-[1-(cyclohexylmethyl)-5-methoxy-2-methylindol-3-yl]acetate is CCOC(=O)Cc1c(C)n(CC2CCCCC2)c2ccc(OC)cc12.
What is the InChIKey of ethyl 2-[1-(cyclohexylmethyl)-5-methoxy-2-methylindol-3-yl]acetate?
The InChIKey is BHQOJOFHZNVDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO3/c1-4-25-21(23)13-18-15(2)22(14-16-8-6-5-7-9-16)20-11-10-17(24-3)12-19(18)20/h10-12,16H,4-9,13-14H2,1-3H3.
What are the key properties of ethyl 2-[1-(cyclohexylmethyl)-5-methoxy-2-methylindol-3-yl]acetate?
ethyl 2-[1-(cyclohexylmethyl)-5-methoxy-2-methylindol-3-yl]acetate has a molecular weight of 343.47 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(cyclohexylmethyl)-5-methoxy-2-methylindol-3-yl]acetate is sourced from PubChem (CID 10759813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).