N-[4-[1-(2-methylbutanoyl)spiro[2H-indole-3,4'-oxane]-5-yl]phenyl]acetamide

C25H30N2O3 — CID 131682351

IUPACN-[4-[1-(2-methylbutanoyl)spiro[2H-indole-3,4'-oxane]-5-yl]phenyl]acetamide
SMILESCCC(C)C(=O)N1CC2(CCOCC2)c2cc(-c3ccc(NC(C)=O)cc3)ccc21
InChIInChI=1S/C25H30N2O3/c1-4-17(2)24(29)27-16-25(11-13-30-14-12-25)22-15-20(7-10-23(22)27)19-5-8-21(9-6-19)26-18(3)28/h5-10,15,17H,4,11-14,16H2,1-3H3,(H,26,28)
InChIKeyVRUDQTMSSYUQOT-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.75
Rot. Bonds4

About N-[4-[1-(2-methylbutanoyl)spiro[2H-indole-3,4'-oxane]-5-yl]phenyl]acetamide

N-[4-[1-(2-methylbutanoyl)spiro[2H-indole-3,4'-oxane]-5-yl]phenyl]acetamide (PubChem CID 131682351) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[4-[1-(2-methylbutanoyl)spiro[2H-indole-3,4'-oxane]-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(2-methylbutanoyl)spiro[2H-indole-3,4'-oxane]-5-yl]phenyl]acetamide
PubChem CID131682351
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC NameN-[4-[1-(2-methylbutanoyl)spiro[2H-indole-3,4'-oxane]-5-yl]phenyl]acetamide
SMILESCCC(C)C(=O)N1CC2(CCOCC2)c2cc(-c3ccc(NC(C)=O)cc3)ccc21
InChIInChI=1S/C25H30N2O3/c1-4-17(2)24(29)27-16-25(11-13-30-14-12-25)22-15-20(7-10-23(22)27)19-5-8-21(9-6-19)26-18(3)28/h5-10,15,17H,4,11-14,16H2,1-3H3,(H,26,28)
InChIKeyVRUDQTMSSYUQOT-UHFFFAOYSA-N
XLogP4.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-[1-(2-methylbutanoyl)spiro[2H-indole-3,4'-oxane]-5-yl]phenyl]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

N-[1-(oxolan-2-ylmethyl)spiro[2H-indole-3,4'-oxane]-5-yl]acetamide
CID 134074323
N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]-2-methylpropanamide
CID 97401206
N-(1-ethylsulfonylspiro[2H-indole-3,4'-oxane]-5-yl)-2-methoxyacetamide
CID 97401229
(2S)-N-(4-acetamidophenyl)-2-methylbutanamide
CID 837961
(2S)-N-(4-acetamidophenyl)-2-methylpentanamide
CID 670216
N-[4-(3-methylphenyl)phenyl]acetamide;propane
CID 142236943
(3S)-N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]oxolane-3-carboxamide
CID 97409703
(2R)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 697456
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methylbutanamide
CID 24684877
1'-ethyl-N-(4-fluorophenyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23798613
N-(4-methylsulfonylphenyl)-1-(2-phenoxypropanoyl)spiro[2H-indole-3,1'-cyclopentane]-5-carboxamide
CID 171705816
N-(4-phenylphenyl)acetamide
CID 19998

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-methylbutanoyl)spiro[2H-indole-3,4'-oxane]-5-yl]phenyl]acetamide?
The IUPAC name of N-[4-[1-(2-methylbutanoyl)spiro[2H-indole-3,4'-oxane]-5-yl]phenyl]acetamide (CID 131682351) is N-[4-[1-(2-methylbutanoyl)spiro[2H-indole-3,4'-oxane]-5-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[1-(2-methylbutanoyl)spiro[2H-indole-3,4'-oxane]-5-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[1-(2-methylbutanoyl)spiro[2H-indole-3,4'-oxane]-5-yl]phenyl]acetamide is CCC(C)C(=O)N1CC2(CCOCC2)c2cc(-c3ccc(NC(C)=O)cc3)ccc21.
What is the InChIKey of N-[4-[1-(2-methylbutanoyl)spiro[2H-indole-3,4'-oxane]-5-yl]phenyl]acetamide?
The InChIKey is VRUDQTMSSYUQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-4-17(2)24(29)27-16-25(11-13-30-14-12-25)22-15-20(7-10-23(22)27)19-5-8-21(9-6-19)26-18(3)28/h5-10,15,17H,4,11-14,16H2,1-3H3,(H,26,28).
What are the key properties of N-[4-[1-(2-methylbutanoyl)spiro[2H-indole-3,4'-oxane]-5-yl]phenyl]acetamide?
N-[4-[1-(2-methylbutanoyl)spiro[2H-indole-3,4'-oxane]-5-yl]phenyl]acetamide has a molecular weight of 406.53 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-methylbutanoyl)spiro[2H-indole-3,4'-oxane]-5-yl]phenyl]acetamide is sourced from PubChem (CID 131682351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).