N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-(1H-indol-3-yl)acetamide

C19H24N2O3 — CID 97258866

IUPACN-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NC[C@@H]1COC2(CCCCC2)O1
InChIInChI=1S/C19H24N2O3/c22-18(10-14-11-20-17-7-3-2-6-16(14)17)21-12-15-13-23-19(24-15)8-4-1-5-9-19/h2-3,6-7,11,15,20H,1,4-5,8-10,12-13H2,(H,21,22)/t15-/m1/s1
InChIKeyDLJJEWSHKFSZBK-OAHLLOKOSA-N
MW328.41 g/mol
LogP2.90
Rot. Bonds4

About N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-(1H-indol-3-yl)acetamide

N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 97258866) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-(1H-indol-3-yl)acetamide
PubChem CID97258866
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NC[C@@H]1COC2(CCCCC2)O1
InChIInChI=1S/C19H24N2O3/c22-18(10-14-11-20-17-7-3-2-6-16(14)17)21-12-15-13-23-19(24-15)8-4-1-5-9-19/h2-3,6-7,11,15,20H,1,4-5,8-10,12-13H2,(H,21,22)/t15-/m1/s1
InChIKeyDLJJEWSHKFSZBK-OAHLLOKOSA-N
XLogP2.90
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-(1H-indol-3-yl)acetamide (CID 97258866) is N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-(1H-indol-3-yl)acetamide is O=C(Cc1c[nH]c2ccccc12)NC[C@@H]1COC2(CCCCC2)O1.
What is the InChIKey of N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is DLJJEWSHKFSZBK-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N2O3/c22-18(10-14-11-20-17-7-3-2-6-16(14)17)21-12-15-13-23-19(24-15)8-4-1-5-9-19/h2-3,6-7,11,15,20H,1,4-5,8-10,12-13H2,(H,21,22)/t15-/m1/s1.
What are the key properties of N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-(1H-indol-3-yl)acetamide?
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 328.41 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 97258866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).