1-ethyl-N-[2-[(3S)-oxolan-3-yl]ethyl]indole-5-carboxamide

C17H22N2O2 — CID 125442573

IUPAC1-ethyl-N-[2-[(3S)-oxolan-3-yl]ethyl]indole-5-carboxamide
SMILESCCn1ccc2cc(C(=O)NCC[C@H]3CCOC3)ccc21
InChIInChI=1S/C17H22N2O2/c1-2-19-9-6-14-11-15(3-4-16(14)19)17(20)18-8-5-13-7-10-21-12-13/h3-4,6,9,11,13H,2,5,7-8,10,12H2,1H3,(H,18,20)/t13-/m0/s1
InChIKeyBFKCKXQAAVLIRX-ZDUSSCGKSA-N
MW286.38 g/mol
LogP2.82
Rot. Bonds5

About 1-ethyl-N-[2-[(3S)-oxolan-3-yl]ethyl]indole-5-carboxamide

1-ethyl-N-[2-[(3S)-oxolan-3-yl]ethyl]indole-5-carboxamide (PubChem CID 125442573) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-ethyl-N-[2-[(3S)-oxolan-3-yl]ethyl]indole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[2-[(3S)-oxolan-3-yl]ethyl]indole-5-carboxamide
PubChem CID125442573
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-ethyl-N-[2-[(3S)-oxolan-3-yl]ethyl]indole-5-carboxamide
SMILESCCn1ccc2cc(C(=O)NCC[C@H]3CCOC3)ccc21
InChIInChI=1S/C17H22N2O2/c1-2-19-9-6-14-11-15(3-4-16(14)19)17(20)18-8-5-13-7-10-21-12-13/h3-4,6,9,11,13H,2,5,7-8,10,12H2,1H3,(H,18,20)/t13-/m0/s1
InChIKeyBFKCKXQAAVLIRX-ZDUSSCGKSA-N
XLogP2.82
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylamino)-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 114131493
3-chloro-4-iodo-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 113415088
3-bromo-4-methoxy-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 113415100
N-[2-(oxolan-3-yl)ethyl]-3-sulfanylbenzamide
CID 114130501
4-(4-methylsulfonylphenyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide
CID 126447960
4-(2-aminoethoxy)-3-methoxy-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide
CID 126434522
3-(2-ethyl-1,3-benzoxazol-5-yl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide
CID 126452642
3-[3-(dimethylamino)phenyl]-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide
CID 125174087
4-(5-methoxy-3-pyridinyl)-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 121494536
4-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 121497411
N-[2-[(3R)-oxan-3-yl]ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 125434835
3-(1,5-dimethylindazol-3-yl)-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide
CID 125444929

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-[(3S)-oxolan-3-yl]ethyl]indole-5-carboxamide?
The IUPAC name of 1-ethyl-N-[2-[(3S)-oxolan-3-yl]ethyl]indole-5-carboxamide (CID 125442573) is 1-ethyl-N-[2-[(3S)-oxolan-3-yl]ethyl]indole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[2-[(3S)-oxolan-3-yl]ethyl]indole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[2-[(3S)-oxolan-3-yl]ethyl]indole-5-carboxamide is CCn1ccc2cc(C(=O)NCC[C@H]3CCOC3)ccc21.
What is the InChIKey of 1-ethyl-N-[2-[(3S)-oxolan-3-yl]ethyl]indole-5-carboxamide?
The InChIKey is BFKCKXQAAVLIRX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-19-9-6-14-11-15(3-4-16(14)19)17(20)18-8-5-13-7-10-21-12-13/h3-4,6,9,11,13H,2,5,7-8,10,12H2,1H3,(H,18,20)/t13-/m0/s1.
What are the key properties of 1-ethyl-N-[2-[(3S)-oxolan-3-yl]ethyl]indole-5-carboxamide?
1-ethyl-N-[2-[(3S)-oxolan-3-yl]ethyl]indole-5-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-[(3S)-oxolan-3-yl]ethyl]indole-5-carboxamide is sourced from PubChem (CID 125442573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).