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

C23H27N3O3 — CID 25022429

IUPACN-[2-[2-[[(2S)-2-(hydroxymethyl)-2,3-dihydroindol-1-yl]methyl]-5-methoxy-1H-indol-3-yl]ethyl]acetamide
SMILESCOc1ccc2[nH]c(CN3c4ccccc4C[C@H]3CO)c(CCNC(C)=O)c2c1
InChIInChI=1S/C23H27N3O3/c1-15(28)24-10-9-19-20-12-18(29-2)7-8-21(20)25-22(19)13-26-17(14-27)11-16-5-3-4-6-23(16)26/h3-8,12,17,25,27H,9-11,13-14H2,1-2H3,(H,24,28)/t17-/m0/s1
InChIKeyLAQHBBPRCOKTEM-KRWDZBQOSA-N
MW393.49 g/mol
LogP2.78
Rot. Bonds7

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

N-[2-[2-[[(2S)-2-(hydroxymethyl)-2,3-dihydroindol-1-yl]methyl]-5-methoxy-1H-indol-3-yl]ethyl]acetamide (PubChem CID 25022429) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[2-[2-[[(2S)-2-(hydroxymethyl)-2,3-dihydroindol-1-yl]methyl]-5-methoxy-1H-indol-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[[(2S)-2-(hydroxymethyl)-2,3-dihydroindol-1-yl]methyl]-5-methoxy-1H-indol-3-yl]ethyl]acetamide
PubChem CID25022429
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[2-[2-[[(2S)-2-(hydroxymethyl)-2,3-dihydroindol-1-yl]methyl]-5-methoxy-1H-indol-3-yl]ethyl]acetamide
SMILESCOc1ccc2[nH]c(CN3c4ccccc4C[C@H]3CO)c(CCNC(C)=O)c2c1
InChIInChI=1S/C23H27N3O3/c1-15(28)24-10-9-19-20-12-18(29-2)7-8-21(20)25-22(19)13-26-17(14-27)11-16-5-3-4-6-23(16)26/h3-8,12,17,25,27H,9-11,13-14H2,1-2H3,(H,24,28)/t17-/m0/s1
InChIKeyLAQHBBPRCOKTEM-KRWDZBQOSA-N
XLogP2.78
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.78
H-Bond Donors ≤ 53
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 N-[2-[2-[[(2S)-2-(hydroxymethyl)-2,3-dihydroindol-1-yl]methyl]-5-methoxy-1H-indol-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[2-[[(2S)-2-(hydroxymethyl)-2,3-dihydroindol-1-yl]methyl]-5-methoxy-1H-indol-3-yl]ethyl]acetamide (CID 25022429) is N-[2-[2-[[(2S)-2-(hydroxymethyl)-2,3-dihydroindol-1-yl]methyl]-5-methoxy-1H-indol-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-[[(2S)-2-(hydroxymethyl)-2,3-dihydroindol-1-yl]methyl]-5-methoxy-1H-indol-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-[[(2S)-2-(hydroxymethyl)-2,3-dihydroindol-1-yl]methyl]-5-methoxy-1H-indol-3-yl]ethyl]acetamide is COc1ccc2[nH]c(CN3c4ccccc4C[C@H]3CO)c(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-[2-[[(2S)-2-(hydroxymethyl)-2,3-dihydroindol-1-yl]methyl]-5-methoxy-1H-indol-3-yl]ethyl]acetamide?
The InChIKey is LAQHBBPRCOKTEM-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-15(28)24-10-9-19-20-12-18(29-2)7-8-21(20)25-22(19)13-26-17(14-27)11-16-5-3-4-6-23(16)26/h3-8,12,17,25,27H,9-11,13-14H2,1-2H3,(H,24,28)/t17-/m0/s1.
What are the key properties of N-[2-[2-[[(2S)-2-(hydroxymethyl)-2,3-dihydroindol-1-yl]methyl]-5-methoxy-1H-indol-3-yl]ethyl]acetamide?
N-[2-[2-[[(2S)-2-(hydroxymethyl)-2,3-dihydroindol-1-yl]methyl]-5-methoxy-1H-indol-3-yl]ethyl]acetamide has a molecular weight of 393.49 g/mol, XLogP of 2.78, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[[(2S)-2-(hydroxymethyl)-2,3-dihydroindol-1-yl]methyl]-5-methoxy-1H-indol-3-yl]ethyl]acetamide is sourced from PubChem (CID 25022429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).