N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-indole-5-carboxamide

C15H18N2O3 — CID 107302119

IUPACN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-indole-5-carboxamide
SMILESCC1OCCC1(O)CNC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C15H18N2O3/c1-10-15(19,5-7-20-10)9-17-14(18)12-2-3-13-11(8-12)4-6-16-13/h2-4,6,8,10,16,19H,5,7,9H2,1H3,(H,17,18)
InChIKeyXNEUOHKSPJOSAT-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.44
Rot. Bonds3

About N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-indole-5-carboxamide

N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-indole-5-carboxamide (PubChem CID 107302119) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-indole-5-carboxamide
PubChem CID107302119
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-indole-5-carboxamide
SMILESCC1OCCC1(O)CNC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C15H18N2O3/c1-10-15(19,5-7-20-10)9-17-14(18)12-2-3-13-11(8-12)4-6-16-13/h2-4,6,8,10,16,19H,5,7,9H2,1H3,(H,17,18)
InChIKeyXNEUOHKSPJOSAT-UHFFFAOYSA-N
XLogP1.44
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylbenzamide
CID 107302098
4-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzene-1,4-dicarboxamide
CID 107302150
4-tert-butyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 107301763
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-iodobenzamide
CID 107301897
3,5-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 107302216
3-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methoxybenzamide
CID 107301628
3-(dimethylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 107301705
N-[(1-cyclopropylcyclopropyl)methyl]-1H-indole-5-carboxamide
CID 103839267
4-[(1H-indole-5-carbonylamino)methyl]oxane-4-carboxylic acid
CID 120542937
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide
CID 107301506
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-propan-2-yloxybenzamide
CID 107302261
N-[(1-aminocyclobutyl)methyl]-1H-indole-5-carboxamide
CID 103352557

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-indole-5-carboxamide?
The IUPAC name of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-indole-5-carboxamide (CID 107302119) is N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-indole-5-carboxamide?
The canonical SMILES for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-indole-5-carboxamide is CC1OCCC1(O)CNC(=O)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-indole-5-carboxamide?
The InChIKey is XNEUOHKSPJOSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10-15(19,5-7-20-10)9-17-14(18)12-2-3-13-11(8-12)4-6-16-13/h2-4,6,8,10,16,19H,5,7,9H2,1H3,(H,17,18).
What are the key properties of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-indole-5-carboxamide?
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-indole-5-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 107302119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).