N-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide

C17H22N2O3 — CID 97024872

IUPACN-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESC[C@H]1Cc2ccccc2[C@H]1NC(=O)N1CCC2(C1)OCCO2
InChIInChI=1S/C17H22N2O3/c1-12-10-13-4-2-3-5-14(13)15(12)18-16(20)19-7-6-17(11-19)21-8-9-22-17/h2-5,12,15H,6-11H2,1H3,(H,18,20)/t12-,15-/m0/s1
InChIKeyAYBUXEXEJLSAKK-WFASDCNBSA-N
MW302.37 g/mol
LogP2.08
Rot. Bonds1

About N-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide

N-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide (PubChem CID 97024872) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide
PubChem CID97024872
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESC[C@H]1Cc2ccccc2[C@H]1NC(=O)N1CCC2(C1)OCCO2
InChIInChI=1S/C17H22N2O3/c1-12-10-13-4-2-3-5-14(13)15(12)18-16(20)19-7-6-17(11-19)21-8-9-22-17/h2-5,12,15H,6-11H2,1H3,(H,18,20)/t12-,15-/m0/s1
InChIKeyAYBUXEXEJLSAKK-WFASDCNBSA-N
XLogP2.08
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide 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-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 97024869
N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide
CID 84600448
4-(hydroxymethyl)-4-methyl-N-[(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide
CID 99855136
4-hydroxy-N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)piperidine-1-carboxamide
CID 97334234
N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-[(3R)-oxolan-3-yl]oxypiperidine-1-carboxamide
CID 97094911
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)pyrrolidine-1-carboxamide
CID 112729494
tert-butyl N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 163763965
tert-butyl N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 142301737
1-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122008246
N-[2-(azepan-1-yl)phenyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 56794685
N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(hydroxymethyl)-3-methylpiperidine-1-carboxamide
CID 110024706
2-chloro-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)benzamide
CID 3398398

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of N-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide (CID 97024872) is N-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide is C[C@H]1Cc2ccccc2[C@H]1NC(=O)N1CCC2(C1)OCCO2.
What is the InChIKey of N-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide?
The InChIKey is AYBUXEXEJLSAKK-WFASDCNBSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-12-10-13-4-2-3-5-14(13)15(12)18-16(20)19-7-6-17(11-19)21-8-9-22-17/h2-5,12,15H,6-11H2,1H3,(H,18,20)/t12-,15-/m0/s1.
What are the key properties of N-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide?
N-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 97024872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).