N-[3-(1H-indol-3-yl)-1-[(7R)-7-methyl-6-azaspiro[3.4]octan-6-yl]-1-oxopropan-2-yl]acetamide

C21H27N3O2 — CID 167918708

IUPACN-[3-(1H-indol-3-yl)-1-[(7R)-7-methyl-6-azaspiro[3.4]octan-6-yl]-1-oxopropan-2-yl]acetamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CC2(CCC2)C[C@H]1C
InChIInChI=1S/C21H27N3O2/c1-14-11-21(8-5-9-21)13-24(14)20(26)19(23-15(2)25)10-16-12-22-18-7-4-3-6-17(16)18/h3-4,6-7,12,14,19,22H,5,8-11,13H2,1-2H3,(H,23,25)/t14-,19?/m1/s1
InChIKeyQQQDNRGTPMGMKS-MJTSIZKDSA-N
MW353.47 g/mol
LogP3.01
Rot. Bonds4

About N-[3-(1H-indol-3-yl)-1-[(7R)-7-methyl-6-azaspiro[3.4]octan-6-yl]-1-oxopropan-2-yl]acetamide

N-[3-(1H-indol-3-yl)-1-[(7R)-7-methyl-6-azaspiro[3.4]octan-6-yl]-1-oxopropan-2-yl]acetamide (PubChem CID 167918708) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[3-(1H-indol-3-yl)-1-[(7R)-7-methyl-6-azaspiro[3.4]octan-6-yl]-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(1H-indol-3-yl)-1-[(7R)-7-methyl-6-azaspiro[3.4]octan-6-yl]-1-oxopropan-2-yl]acetamide
PubChem CID167918708
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[3-(1H-indol-3-yl)-1-[(7R)-7-methyl-6-azaspiro[3.4]octan-6-yl]-1-oxopropan-2-yl]acetamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CC2(CCC2)C[C@H]1C
InChIInChI=1S/C21H27N3O2/c1-14-11-21(8-5-9-21)13-24(14)20(26)19(23-15(2)25)10-16-12-22-18-7-4-3-6-17(16)18/h3-4,6-7,12,14,19,22H,5,8-11,13H2,1-2H3,(H,23,25)/t14-,19?/m1/s1
InChIKeyQQQDNRGTPMGMKS-MJTSIZKDSA-N
XLogP3.01
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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sodium;2-acetamido-3-(1H-indol-3-yl)propanoate;tetrahydrate
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Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indol-3-yl)-1-[(7R)-7-methyl-6-azaspiro[3.4]octan-6-yl]-1-oxopropan-2-yl]acetamide?
The IUPAC name of N-[3-(1H-indol-3-yl)-1-[(7R)-7-methyl-6-azaspiro[3.4]octan-6-yl]-1-oxopropan-2-yl]acetamide (CID 167918708) is N-[3-(1H-indol-3-yl)-1-[(7R)-7-methyl-6-azaspiro[3.4]octan-6-yl]-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[3-(1H-indol-3-yl)-1-[(7R)-7-methyl-6-azaspiro[3.4]octan-6-yl]-1-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[3-(1H-indol-3-yl)-1-[(7R)-7-methyl-6-azaspiro[3.4]octan-6-yl]-1-oxopropan-2-yl]acetamide is CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CC2(CCC2)C[C@H]1C.
What is the InChIKey of N-[3-(1H-indol-3-yl)-1-[(7R)-7-methyl-6-azaspiro[3.4]octan-6-yl]-1-oxopropan-2-yl]acetamide?
The InChIKey is QQQDNRGTPMGMKS-MJTSIZKDSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-14-11-21(8-5-9-21)13-24(14)20(26)19(23-15(2)25)10-16-12-22-18-7-4-3-6-17(16)18/h3-4,6-7,12,14,19,22H,5,8-11,13H2,1-2H3,(H,23,25)/t14-,19?/m1/s1.
What are the key properties of N-[3-(1H-indol-3-yl)-1-[(7R)-7-methyl-6-azaspiro[3.4]octan-6-yl]-1-oxopropan-2-yl]acetamide?
N-[3-(1H-indol-3-yl)-1-[(7R)-7-methyl-6-azaspiro[3.4]octan-6-yl]-1-oxopropan-2-yl]acetamide has a molecular weight of 353.47 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-indol-3-yl)-1-[(7R)-7-methyl-6-azaspiro[3.4]octan-6-yl]-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 167918708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).