N-[(3R,4'S)-2-oxospiro[1H-indole-3,2'-oxane]-4'-yl]acetamide

C14H16N2O3 — CID 168509977

IUPACN-[(3R,4'S)-2-oxospiro[1H-indole-3,2'-oxane]-4'-yl]acetamide
SMILESCC(=O)N[C@H]1CCO[C@@]2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C14H16N2O3/c1-9(17)15-10-6-7-19-14(8-10)11-4-2-3-5-12(11)16-13(14)18/h2-5,10H,6-8H2,1H3,(H,15,17)(H,16,18)/t10-,14+/m0/s1
InChIKeyMRIAJNNXVLDNCH-IINYFYTJSA-N
MW260.29 g/mol
LogP1.15
Rot. Bonds1

About N-[(3R,4'S)-2-oxospiro[1H-indole-3,2'-oxane]-4'-yl]acetamide

N-[(3R,4'S)-2-oxospiro[1H-indole-3,2'-oxane]-4'-yl]acetamide (PubChem CID 168509977) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-[(3R,4'S)-2-oxospiro[1H-indole-3,2'-oxane]-4'-yl]acetamide.

Molecular Properties

Compound NameN-[(3R,4'S)-2-oxospiro[1H-indole-3,2'-oxane]-4'-yl]acetamide
PubChem CID168509977
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-[(3R,4'S)-2-oxospiro[1H-indole-3,2'-oxane]-4'-yl]acetamide
SMILESCC(=O)N[C@H]1CCO[C@@]2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C14H16N2O3/c1-9(17)15-10-6-7-19-14(8-10)11-4-2-3-5-12(11)16-13(14)18/h2-5,10H,6-8H2,1H3,(H,15,17)(H,16,18)/t10-,14+/m0/s1
InChIKeyMRIAJNNXVLDNCH-IINYFYTJSA-N
XLogP1.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3R,4'S)-2-oxospiro[1H-indole-3,2'-oxane]-4'-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-3-(6-oxaspiro[4.5]decan-9-yl)-1H-indol-2-one
CID 83035071
4'-hydroxy-6'-propylspiro[1H-indole-3,2'-oxane]-2-one
CID 123548047
N-[(4S)-2,2-dimethyloxan-4-yl]-3-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]propanamide
CID 96544465
(1'R,3R)-1'-methylspiro[1H-indole-3,3'-4,5,6,7-tetrahydro-1H-cyclopenta[c]pyran]-2-one
CID 139218215
N-[2-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]acetamide
CID 95278271
N-(1-oxaspiro[5.5]undecan-4-yl)acetamide
CID 51358556
spiro[1H-indole-3,2'-3,4-dihydrochromene]-2-one
CID 166063555
(2S,6S)-2,3-dimethylspiro[1,3-oxazinane-6,3'-1H-indole]-2'-one
CID 162959161
cis-(1R,3R)-3-acetamido-1-phenylcyclopentane-1-carboxylic acid
CID 815452
N-(2,3-dihydro-1H-indol-2-yl)acetamide
CID 23387653
4-butylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one
CID 91307632
CID 146949857
CID 146949857

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4'S)-2-oxospiro[1H-indole-3,2'-oxane]-4'-yl]acetamide?
The IUPAC name of N-[(3R,4'S)-2-oxospiro[1H-indole-3,2'-oxane]-4'-yl]acetamide (CID 168509977) is N-[(3R,4'S)-2-oxospiro[1H-indole-3,2'-oxane]-4'-yl]acetamide.
What is the SMILES notation for N-[(3R,4'S)-2-oxospiro[1H-indole-3,2'-oxane]-4'-yl]acetamide?
The canonical SMILES for N-[(3R,4'S)-2-oxospiro[1H-indole-3,2'-oxane]-4'-yl]acetamide is CC(=O)N[C@H]1CCO[C@@]2(C1)C(=O)Nc1ccccc12.
What is the InChIKey of N-[(3R,4'S)-2-oxospiro[1H-indole-3,2'-oxane]-4'-yl]acetamide?
The InChIKey is MRIAJNNXVLDNCH-IINYFYTJSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9(17)15-10-6-7-19-14(8-10)11-4-2-3-5-12(11)16-13(14)18/h2-5,10H,6-8H2,1H3,(H,15,17)(H,16,18)/t10-,14+/m0/s1.
What are the key properties of N-[(3R,4'S)-2-oxospiro[1H-indole-3,2'-oxane]-4'-yl]acetamide?
N-[(3R,4'S)-2-oxospiro[1H-indole-3,2'-oxane]-4'-yl]acetamide has a molecular weight of 260.29 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4'S)-2-oxospiro[1H-indole-3,2'-oxane]-4'-yl]acetamide is sourced from PubChem (CID 168509977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).