8-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-5-oxaspiro[3.5]nonane-2-carboxamide

C19H26N2O3 — CID 167983409

IUPAC8-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-5-oxaspiro[3.5]nonane-2-carboxamide
SMILESCOc1cccc2c1CCC2NC(=O)C1CC2(CC(N)CCO2)C1
InChIInChI=1S/C19H26N2O3/c1-23-17-4-2-3-14-15(17)5-6-16(14)21-18(22)12-9-19(10-12)11-13(20)7-8-24-19/h2-4,12-13,16H,5-11,20H2,1H3,(H,21,22)
InChIKeyZVORQLSOSBRHSM-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.09
Rot. Bonds3

About 8-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-5-oxaspiro[3.5]nonane-2-carboxamide

8-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-5-oxaspiro[3.5]nonane-2-carboxamide (PubChem CID 167983409) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 8-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-5-oxaspiro[3.5]nonane-2-carboxamide.

Molecular Properties

Compound Name8-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-5-oxaspiro[3.5]nonane-2-carboxamide
PubChem CID167983409
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name8-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-5-oxaspiro[3.5]nonane-2-carboxamide
SMILESCOc1cccc2c1CCC2NC(=O)C1CC2(CC(N)CCO2)C1
InChIInChI=1S/C19H26N2O3/c1-23-17-4-2-3-14-15(17)5-6-16(14)21-18(22)12-9-19(10-12)11-13(20)7-8-24-19/h2-4,12-13,16H,5-11,20H2,1H3,(H,21,22)
InChIKeyZVORQLSOSBRHSM-UHFFFAOYSA-N
XLogP2.09
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-5-oxaspiro[3.5]nonane-2-carboxamide with MolForge

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Related Compounds

1-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide
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CID 119317459
2-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-2-phenylpropanamide;hydrochloride
CID 120591605
N-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide
CID 99832022
N-ethyl-4-methoxy-2,3-dihydro-1H-inden-1-amine
CID 61383418
N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-4,4-dimethyl-2-(methylamino)pentanamide
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(1S,6R)-N-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 100877000
N-cyclopropyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 83910112
8-amino-5-oxaspiro[3.5]nonane-2-carboxylic acid
CID 126812350
3-chloro-N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 10611920
1-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-3-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea
CID 97087378
1-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(4R)-1-oxaspiro[5.5]undecan-4-yl]urea
CID 97235602

Frequently Asked Questions

What is the IUPAC name of 8-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-5-oxaspiro[3.5]nonane-2-carboxamide?
The IUPAC name of 8-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-5-oxaspiro[3.5]nonane-2-carboxamide (CID 167983409) is 8-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-5-oxaspiro[3.5]nonane-2-carboxamide.
What is the SMILES notation for 8-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-5-oxaspiro[3.5]nonane-2-carboxamide?
The canonical SMILES for 8-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-5-oxaspiro[3.5]nonane-2-carboxamide is COc1cccc2c1CCC2NC(=O)C1CC2(CC(N)CCO2)C1.
What is the InChIKey of 8-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-5-oxaspiro[3.5]nonane-2-carboxamide?
The InChIKey is ZVORQLSOSBRHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-23-17-4-2-3-14-15(17)5-6-16(14)21-18(22)12-9-19(10-12)11-13(20)7-8-24-19/h2-4,12-13,16H,5-11,20H2,1H3,(H,21,22).
What are the key properties of 8-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-5-oxaspiro[3.5]nonane-2-carboxamide?
8-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-5-oxaspiro[3.5]nonane-2-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-5-oxaspiro[3.5]nonane-2-carboxamide is sourced from PubChem (CID 167983409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).