N-[(3R,4R)-4-hydroxyoxan-3-yl]-5-methoxy-1,2-dimethylindole-3-carboxamide

C17H22N2O4 — CID 91791830

IUPACN-[(3R,4R)-4-hydroxyoxan-3-yl]-5-methoxy-1,2-dimethylindole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)N[C@@H]1COCC[C@H]1O)c(C)n2C
InChIInChI=1S/C17H22N2O4/c1-10-16(17(21)18-13-9-23-7-6-15(13)20)12-8-11(22-3)4-5-14(12)19(10)2/h4-5,8,13,15,20H,6-7,9H2,1-3H3,(H,18,21)/t13-,15-/m1/s1
InChIKeyGEFOQAFRGUAIRR-UKRRQHHQSA-N
MW318.37 g/mol
LogP1.37
Rot. Bonds3

About N-[(3R,4R)-4-hydroxyoxan-3-yl]-5-methoxy-1,2-dimethylindole-3-carboxamide

N-[(3R,4R)-4-hydroxyoxan-3-yl]-5-methoxy-1,2-dimethylindole-3-carboxamide (PubChem CID 91791830) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxyoxan-3-yl]-5-methoxy-1,2-dimethylindole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxyoxan-3-yl]-5-methoxy-1,2-dimethylindole-3-carboxamide
PubChem CID91791830
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC NameN-[(3R,4R)-4-hydroxyoxan-3-yl]-5-methoxy-1,2-dimethylindole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)N[C@@H]1COCC[C@H]1O)c(C)n2C
InChIInChI=1S/C17H22N2O4/c1-10-16(17(21)18-13-9-23-7-6-15(13)20)12-8-11(22-3)4-5-14(12)19(10)2/h4-5,8,13,15,20H,6-7,9H2,1-3H3,(H,18,21)/t13-,15-/m1/s1
InChIKeyGEFOQAFRGUAIRR-UKRRQHHQSA-N
XLogP1.37
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxyoxan-3-yl]-5-methoxy-1,2-dimethylindole-3-carboxamide?
The IUPAC name of N-[(3R,4R)-4-hydroxyoxan-3-yl]-5-methoxy-1,2-dimethylindole-3-carboxamide (CID 91791830) is N-[(3R,4R)-4-hydroxyoxan-3-yl]-5-methoxy-1,2-dimethylindole-3-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxyoxan-3-yl]-5-methoxy-1,2-dimethylindole-3-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxyoxan-3-yl]-5-methoxy-1,2-dimethylindole-3-carboxamide is COc1ccc2c(c1)c(C(=O)N[C@@H]1COCC[C@H]1O)c(C)n2C.
What is the InChIKey of N-[(3R,4R)-4-hydroxyoxan-3-yl]-5-methoxy-1,2-dimethylindole-3-carboxamide?
The InChIKey is GEFOQAFRGUAIRR-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-10-16(17(21)18-13-9-23-7-6-15(13)20)12-8-11(22-3)4-5-14(12)19(10)2/h4-5,8,13,15,20H,6-7,9H2,1-3H3,(H,18,21)/t13-,15-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxyoxan-3-yl]-5-methoxy-1,2-dimethylindole-3-carboxamide?
N-[(3R,4R)-4-hydroxyoxan-3-yl]-5-methoxy-1,2-dimethylindole-3-carboxamide has a molecular weight of 318.37 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxyoxan-3-yl]-5-methoxy-1,2-dimethylindole-3-carboxamide is sourced from PubChem (CID 91791830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).