3-(3-methoxyphenyl)-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)propanamide

C23H26N2O3 — CID 110405531

IUPAC3-(3-methoxyphenyl)-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)propanamide
SMILESCOc1cccc(CCC(=O)Nc2ccc3c(c2)C2(CCCCC2)C(=O)N3)c1
InChIInChI=1S/C23H26N2O3/c1-28-18-7-5-6-16(14-18)8-11-21(26)24-17-9-10-20-19(15-17)23(22(27)25-20)12-3-2-4-13-23/h5-7,9-10,14-15H,2-4,8,11-13H2,1H3,(H,24,26)(H,25,27)
InChIKeyKMTJLEAANIBOQR-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.42
Rot. Bonds5

About 3-(3-methoxyphenyl)-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)propanamide

3-(3-methoxyphenyl)-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)propanamide (PubChem CID 110405531) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)propanamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)propanamide
PubChem CID110405531
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name3-(3-methoxyphenyl)-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)propanamide
SMILESCOc1cccc(CCC(=O)Nc2ccc3c(c2)C2(CCCCC2)C(=O)N3)c1
InChIInChI=1S/C23H26N2O3/c1-28-18-7-5-6-16(14-18)8-11-21(26)24-17-9-10-20-19(15-17)23(22(27)25-20)12-3-2-4-13-23/h5-7,9-10,14-15H,2-4,8,11-13H2,1H3,(H,24,26)(H,25,27)
InChIKeyKMTJLEAANIBOQR-UHFFFAOYSA-N
XLogP4.42
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3-methoxyphenyl)-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)propanamide 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-(4-methoxyphenyl)-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)propanamide
CID 110405638
2-(4-fluorophenyl)-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)acetamide
CID 110405600
2-methoxy-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzamide
CID 110405589
2-methyl-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)propanamide
CID 110405476
3-(3-methoxyphenyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 34367905
3-(3-methoxyphenyl)-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 110361627
N-(1H-indol-5-yl)-3-(3-methoxyphenyl)propanamide
CID 110730751
N-[4-(1,3-dioxolan-2-yl)phenyl]-3-(3-methoxyphenyl)propanamide
CID 110732832
3-(3-methoxyphenyl)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
CID 110725062
3-(3-methoxyphenyl)-N-(3-propan-2-ylphenyl)propanamide
CID 36568159
N-methyl-N-[2-oxo-2-[(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)amino]ethyl]prop-2-enamide
CID 166410659
3-(3-methoxyphenyl)-N-(6-methyl-3-pyridinyl)propanamide
CID 112532458

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)propanamide?
The IUPAC name of 3-(3-methoxyphenyl)-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)propanamide (CID 110405531) is 3-(3-methoxyphenyl)-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)propanamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)propanamide?
The canonical SMILES for 3-(3-methoxyphenyl)-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)propanamide is COc1cccc(CCC(=O)Nc2ccc3c(c2)C2(CCCCC2)C(=O)N3)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)propanamide?
The InChIKey is KMTJLEAANIBOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-28-18-7-5-6-16(14-18)8-11-21(26)24-17-9-10-20-19(15-17)23(22(27)25-20)12-3-2-4-13-23/h5-7,9-10,14-15H,2-4,8,11-13H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 3-(3-methoxyphenyl)-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)propanamide?
3-(3-methoxyphenyl)-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)propanamide has a molecular weight of 378.47 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)propanamide is sourced from PubChem (CID 110405531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).