3-ethyl-N-[(3S,4R)-3-methoxyoxan-4-yl]-1H-indole-2-carboxamide

C17H22N2O3 — CID 91772747

IUPAC3-ethyl-N-[(3S,4R)-3-methoxyoxan-4-yl]-1H-indole-2-carboxamide
SMILESCCc1c(C(=O)N[C@@H]2CCOC[C@H]2OC)[nH]c2ccccc12
InChIInChI=1S/C17H22N2O3/c1-3-11-12-6-4-5-7-13(12)18-16(11)17(20)19-14-8-9-22-10-15(14)21-2/h4-7,14-15,18H,3,8-10H2,1-2H3,(H,19,20)/t14-,15-/m1/s1
InChIKeyXNQFCRMAWOPPHG-HUUCEWRRSA-N
MW302.37 g/mol
LogP2.26
Rot. Bonds4

About 3-ethyl-N-[(3S,4R)-3-methoxyoxan-4-yl]-1H-indole-2-carboxamide

3-ethyl-N-[(3S,4R)-3-methoxyoxan-4-yl]-1H-indole-2-carboxamide (PubChem CID 91772747) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 3-ethyl-N-[(3S,4R)-3-methoxyoxan-4-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[(3S,4R)-3-methoxyoxan-4-yl]-1H-indole-2-carboxamide
PubChem CID91772747
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name3-ethyl-N-[(3S,4R)-3-methoxyoxan-4-yl]-1H-indole-2-carboxamide
SMILESCCc1c(C(=O)N[C@@H]2CCOC[C@H]2OC)[nH]c2ccccc12
InChIInChI=1S/C17H22N2O3/c1-3-11-12-6-4-5-7-13(12)18-16(11)17(20)19-14-8-9-22-10-15(14)21-2/h4-7,14-15,18H,3,8-10H2,1-2H3,(H,19,20)/t14-,15-/m1/s1
InChIKeyXNQFCRMAWOPPHG-HUUCEWRRSA-N
XLogP2.26
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[(3S,4R)-3-methoxyoxan-4-yl]-3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanamide
CID 91795462
7-fluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-3-methyl-1H-indole-2-carboxamide
CID 91779136
2-cyano-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide
CID 91770020
3-ethyl-5-fluoro-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide
CID 51496460
N-[(3S,4R)-3-methoxyoxan-4-yl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 91777227
2,6-difluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-3-methylbenzamide
CID 91788905
N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(4-propylphenyl)benzamide
CID 91762361
3-(2-ethoxyethoxy)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide
CID 91761869
5-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 91766028
N-[(3S,4S)-4-methoxyoxolan-3-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 154868176
4-(2-hydroxyethylsulfanyl)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide
CID 91762413
N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 90647703

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(3S,4R)-3-methoxyoxan-4-yl]-1H-indole-2-carboxamide?
The IUPAC name of 3-ethyl-N-[(3S,4R)-3-methoxyoxan-4-yl]-1H-indole-2-carboxamide (CID 91772747) is 3-ethyl-N-[(3S,4R)-3-methoxyoxan-4-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 3-ethyl-N-[(3S,4R)-3-methoxyoxan-4-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 3-ethyl-N-[(3S,4R)-3-methoxyoxan-4-yl]-1H-indole-2-carboxamide is CCc1c(C(=O)N[C@@H]2CCOC[C@H]2OC)[nH]c2ccccc12.
What is the InChIKey of 3-ethyl-N-[(3S,4R)-3-methoxyoxan-4-yl]-1H-indole-2-carboxamide?
The InChIKey is XNQFCRMAWOPPHG-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-3-11-12-6-4-5-7-13(12)18-16(11)17(20)19-14-8-9-22-10-15(14)21-2/h4-7,14-15,18H,3,8-10H2,1-2H3,(H,19,20)/t14-,15-/m1/s1.
What are the key properties of 3-ethyl-N-[(3S,4R)-3-methoxyoxan-4-yl]-1H-indole-2-carboxamide?
3-ethyl-N-[(3S,4R)-3-methoxyoxan-4-yl]-1H-indole-2-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(3S,4R)-3-methoxyoxan-4-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 91772747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).