N-[2-[5-methoxy-2-[(5-methoxy-2,3-dihydroindol-1-yl)methyl]-1H-indol-3-yl]ethyl]acetamide

C23H27N3O3 — CID 25209998

IUPACN-[2-[5-methoxy-2-[(5-methoxy-2,3-dihydroindol-1-yl)methyl]-1H-indol-3-yl]ethyl]acetamide
SMILESCOc1ccc2c(c1)CCN2Cc1[nH]c2ccc(OC)cc2c1CCNC(C)=O
InChIInChI=1S/C23H27N3O3/c1-15(27)24-10-8-19-20-13-18(29-3)4-6-21(20)25-22(19)14-26-11-9-16-12-17(28-2)5-7-23(16)26/h4-7,12-13,25H,8-11,14H2,1-3H3,(H,24,27)
InChIKeyQJOOZVDDOHEAGR-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.43
Rot. Bonds7

About N-[2-[5-methoxy-2-[(5-methoxy-2,3-dihydroindol-1-yl)methyl]-1H-indol-3-yl]ethyl]acetamide

N-[2-[5-methoxy-2-[(5-methoxy-2,3-dihydroindol-1-yl)methyl]-1H-indol-3-yl]ethyl]acetamide (PubChem CID 25209998) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[2-[5-methoxy-2-[(5-methoxy-2,3-dihydroindol-1-yl)methyl]-1H-indol-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-methoxy-2-[(5-methoxy-2,3-dihydroindol-1-yl)methyl]-1H-indol-3-yl]ethyl]acetamide
PubChem CID25209998
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[2-[5-methoxy-2-[(5-methoxy-2,3-dihydroindol-1-yl)methyl]-1H-indol-3-yl]ethyl]acetamide
SMILESCOc1ccc2c(c1)CCN2Cc1[nH]c2ccc(OC)cc2c1CCNC(C)=O
InChIInChI=1S/C23H27N3O3/c1-15(27)24-10-8-19-20-13-18(29-3)4-6-21(20)25-22(19)14-26-11-9-16-12-17(28-2)5-7-23(16)26/h4-7,12-13,25H,8-11,14H2,1-3H3,(H,24,27)
InChIKeyQJOOZVDDOHEAGR-UHFFFAOYSA-N
XLogP3.43
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-methoxy-2-[(5-methoxy-2,3-dihydroindol-1-yl)methyl]-1H-indol-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[5-methoxy-2-[(5-methoxy-2,3-dihydroindol-1-yl)methyl]-1H-indol-3-yl]ethyl]acetamide (CID 25209998) is N-[2-[5-methoxy-2-[(5-methoxy-2,3-dihydroindol-1-yl)methyl]-1H-indol-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-methoxy-2-[(5-methoxy-2,3-dihydroindol-1-yl)methyl]-1H-indol-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-methoxy-2-[(5-methoxy-2,3-dihydroindol-1-yl)methyl]-1H-indol-3-yl]ethyl]acetamide is COc1ccc2c(c1)CCN2Cc1[nH]c2ccc(OC)cc2c1CCNC(C)=O.
What is the InChIKey of N-[2-[5-methoxy-2-[(5-methoxy-2,3-dihydroindol-1-yl)methyl]-1H-indol-3-yl]ethyl]acetamide?
The InChIKey is QJOOZVDDOHEAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-15(27)24-10-8-19-20-13-18(29-3)4-6-21(20)25-22(19)14-26-11-9-16-12-17(28-2)5-7-23(16)26/h4-7,12-13,25H,8-11,14H2,1-3H3,(H,24,27).
What are the key properties of N-[2-[5-methoxy-2-[(5-methoxy-2,3-dihydroindol-1-yl)methyl]-1H-indol-3-yl]ethyl]acetamide?
N-[2-[5-methoxy-2-[(5-methoxy-2,3-dihydroindol-1-yl)methyl]-1H-indol-3-yl]ethyl]acetamide has a molecular weight of 393.49 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-methoxy-2-[(5-methoxy-2,3-dihydroindol-1-yl)methyl]-1H-indol-3-yl]ethyl]acetamide is sourced from PubChem (CID 25209998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).