N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

C15H26N2O3 — CID 106101672

IUPACN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCC1OCCC1(O)CNC(=O)C1CC2CCCCC2N1
InChIInChI=1S/C15H26N2O3/c1-10-15(19,6-7-20-10)9-16-14(18)13-8-11-4-2-3-5-12(11)17-13/h10-13,17,19H,2-9H2,1H3,(H,16,18)
InChIKeyWXPUGZHTTSHEDZ-UHFFFAOYSA-N
MW282.38 g/mol
LogP0.56
Rot. Bonds3

About N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 106101672) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID106101672
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC NameN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCC1OCCC1(O)CNC(=O)C1CC2CCCCC2N1
InChIInChI=1S/C15H26N2O3/c1-10-15(19,6-7-20-10)9-16-14(18)13-8-11-4-2-3-5-12(11)17-13/h10-13,17,19H,2-9H2,1H3,(H,16,18)
InChIKeyWXPUGZHTTSHEDZ-UHFFFAOYSA-N
XLogP0.56
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 65120164
N-[(3-hydroxyoxolan-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 106101406
N-[(1-ethylcyclopentyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 103797849
1-[(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)methyl]cyclopropane-1-carboxylic acid
CID 115450670
4-hydroxy-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pyrrolidine-2-carboxamide
CID 106101637
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 106101660
N-[(4-piperidin-1-yloxan-4-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119886702
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119268174
2-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide
CID 106101649
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119268173
N-[(4-hydroxycyclohexyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 106135587
1-cyclohexyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea
CID 107265907

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 106101672) is N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is CC1OCCC1(O)CNC(=O)C1CC2CCCCC2N1.
What is the InChIKey of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is WXPUGZHTTSHEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-10-15(19,6-7-20-10)9-16-14(18)13-8-11-4-2-3-5-12(11)17-13/h10-13,17,19H,2-9H2,1H3,(H,16,18).
What are the key properties of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 282.38 g/mol, XLogP of 0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 106101672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).