methyl 2-[6-methyl-1-(1-phenylethylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]acetate

C24H28N2O2 — CID 2834639

IUPACmethyl 2-[6-methyl-1-(1-phenylethylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]acetate
SMILESCOC(=O)Cn1c2c(c3cc(C)ccc31)CCCC2NC(C)c1ccccc1
InChIInChI=1S/C24H28N2O2/c1-16-12-13-22-20(14-16)19-10-7-11-21(24(19)26(22)15-23(27)28-3)25-17(2)18-8-5-4-6-9-18/h4-6,8-9,12-14,17,21,25H,7,10-11,15H2,1-3H3
InChIKeyIPVYABONDHEMAS-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.85
Rot. Bonds5

About methyl 2-[6-methyl-1-(1-phenylethylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]acetate

methyl 2-[6-methyl-1-(1-phenylethylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]acetate (PubChem CID 2834639) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is methyl 2-[6-methyl-1-(1-phenylethylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-methyl-1-(1-phenylethylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]acetate
PubChem CID2834639
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Namemethyl 2-[6-methyl-1-(1-phenylethylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]acetate
SMILESCOC(=O)Cn1c2c(c3cc(C)ccc31)CCCC2NC(C)c1ccccc1
InChIInChI=1S/C24H28N2O2/c1-16-12-13-22-20(14-16)19-10-7-11-21(24(19)26(22)15-23(27)28-3)25-17(2)18-8-5-4-6-9-18/h4-6,8-9,12-14,17,21,25H,7,10-11,15H2,1-3H3
InChIKeyIPVYABONDHEMAS-UHFFFAOYSA-N
XLogP4.85
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-methyl-1-(1-phenylethylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]acetate?
The IUPAC name of methyl 2-[6-methyl-1-(1-phenylethylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]acetate (CID 2834639) is methyl 2-[6-methyl-1-(1-phenylethylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]acetate.
What is the SMILES notation for methyl 2-[6-methyl-1-(1-phenylethylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]acetate?
The canonical SMILES for methyl 2-[6-methyl-1-(1-phenylethylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]acetate is COC(=O)Cn1c2c(c3cc(C)ccc31)CCCC2NC(C)c1ccccc1.
What is the InChIKey of methyl 2-[6-methyl-1-(1-phenylethylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]acetate?
The InChIKey is IPVYABONDHEMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-16-12-13-22-20(14-16)19-10-7-11-21(24(19)26(22)15-23(27)28-3)25-17(2)18-8-5-4-6-9-18/h4-6,8-9,12-14,17,21,25H,7,10-11,15H2,1-3H3.
What are the key properties of methyl 2-[6-methyl-1-(1-phenylethylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]acetate?
methyl 2-[6-methyl-1-(1-phenylethylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]acetate has a molecular weight of 376.50 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-methyl-1-(1-phenylethylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]acetate is sourced from PubChem (CID 2834639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).