1-(2-methoxyethyl)-N-[[(2R)-oxolan-2-yl]methyl]indole-4-carboxamide

C17H22N2O3 — CID 96557798

IUPAC1-(2-methoxyethyl)-N-[[(2R)-oxolan-2-yl]methyl]indole-4-carboxamide
SMILESCOCCn1ccc2c(C(=O)NC[C@H]3CCCO3)cccc21
InChIInChI=1S/C17H22N2O3/c1-21-11-9-19-8-7-14-15(5-2-6-16(14)19)17(20)18-12-13-4-3-10-22-13/h2,5-8,13H,3-4,9-12H2,1H3,(H,18,20)/t13-/m1/s1
InChIKeyJPXNWKLNUQLMJC-CYBMUJFWSA-N
MW302.37 g/mol
LogP2.20
Rot. Bonds6

About 1-(2-methoxyethyl)-N-[[(2R)-oxolan-2-yl]methyl]indole-4-carboxamide

1-(2-methoxyethyl)-N-[[(2R)-oxolan-2-yl]methyl]indole-4-carboxamide (PubChem CID 96557798) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-[[(2R)-oxolan-2-yl]methyl]indole-4-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-[[(2R)-oxolan-2-yl]methyl]indole-4-carboxamide
PubChem CID96557798
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name1-(2-methoxyethyl)-N-[[(2R)-oxolan-2-yl]methyl]indole-4-carboxamide
SMILESCOCCn1ccc2c(C(=O)NC[C@H]3CCCO3)cccc21
InChIInChI=1S/C17H22N2O3/c1-21-11-9-19-8-7-14-15(5-2-6-16(14)19)17(20)18-12-13-4-3-10-22-13/h2,5-8,13H,3-4,9-12H2,1H3,(H,18,20)/t13-/m1/s1
InChIKeyJPXNWKLNUQLMJC-CYBMUJFWSA-N
XLogP2.20
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 4781408
1-[1-(2-methoxyethyl)indol-5-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 95572777
1-methyl-N-[[(2S)-oxan-2-yl]methyl]indole-3-carboxamide
CID 94201114
2-(2-methoxyethylsulfanyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 2218436
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
N-(3-acetamidophenyl)-1-(2-methoxyethyl)indole-4-carboxamide
CID 71702506
N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]naphthalene-1-carboxamide
CID 1319633
N-(oxolan-2-ylmethyl)-1H-indazole-4-carboxamide
CID 47330976
2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2228852
2-methoxy-N-[2-[3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanylindol-1-yl]ethyl]benzamide
CID 41050435
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-1-carboxamide
CID 689145

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-[[(2R)-oxolan-2-yl]methyl]indole-4-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-[[(2R)-oxolan-2-yl]methyl]indole-4-carboxamide (CID 96557798) is 1-(2-methoxyethyl)-N-[[(2R)-oxolan-2-yl]methyl]indole-4-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-[[(2R)-oxolan-2-yl]methyl]indole-4-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-[[(2R)-oxolan-2-yl]methyl]indole-4-carboxamide is COCCn1ccc2c(C(=O)NC[C@H]3CCCO3)cccc21.
What is the InChIKey of 1-(2-methoxyethyl)-N-[[(2R)-oxolan-2-yl]methyl]indole-4-carboxamide?
The InChIKey is JPXNWKLNUQLMJC-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-21-11-9-19-8-7-14-15(5-2-6-16(14)19)17(20)18-12-13-4-3-10-22-13/h2,5-8,13H,3-4,9-12H2,1H3,(H,18,20)/t13-/m1/s1.
What are the key properties of 1-(2-methoxyethyl)-N-[[(2R)-oxolan-2-yl]methyl]indole-4-carboxamide?
1-(2-methoxyethyl)-N-[[(2R)-oxolan-2-yl]methyl]indole-4-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-[[(2R)-oxolan-2-yl]methyl]indole-4-carboxamide is sourced from PubChem (CID 96557798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).