N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-1-(2-methoxyethyl)indole-6-carboxamide

C18H26N2O3 — CID 110205741

IUPACN-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-1-(2-methoxyethyl)indole-6-carboxamide
SMILESCC[C@@H](C)[C@@H](CO)NC(=O)c1ccc2ccn(CCOC)c2c1
InChIInChI=1S/C18H26N2O3/c1-4-13(2)16(12-21)19-18(22)15-6-5-14-7-8-20(9-10-23-3)17(14)11-15/h5-8,11,13,16,21H,4,9-10,12H2,1-3H3,(H,19,22)/t13-,16-/m1/s1
InChIKeyOEHZKACLULQJSN-CZUORRHYSA-N
MW318.42 g/mol
LogP2.42
Rot. Bonds8

About N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-1-(2-methoxyethyl)indole-6-carboxamide

N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-1-(2-methoxyethyl)indole-6-carboxamide (PubChem CID 110205741) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-1-(2-methoxyethyl)indole-6-carboxamide.

Molecular Properties

Compound NameN-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-1-(2-methoxyethyl)indole-6-carboxamide
PubChem CID110205741
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-1-(2-methoxyethyl)indole-6-carboxamide
SMILESCC[C@@H](C)[C@@H](CO)NC(=O)c1ccc2ccn(CCOC)c2c1
InChIInChI=1S/C18H26N2O3/c1-4-13(2)16(12-21)19-18(22)15-6-5-14-7-8-20(9-10-23-3)17(14)11-15/h5-8,11,13,16,21H,4,9-10,12H2,1-3H3,(H,19,22)/t13-,16-/m1/s1
InChIKeyOEHZKACLULQJSN-CZUORRHYSA-N
XLogP2.42
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-1-(2-methoxyethyl)indole-6-carboxamide?
The IUPAC name of N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-1-(2-methoxyethyl)indole-6-carboxamide (CID 110205741) is N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-1-(2-methoxyethyl)indole-6-carboxamide.
What is the SMILES notation for N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-1-(2-methoxyethyl)indole-6-carboxamide?
The canonical SMILES for N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-1-(2-methoxyethyl)indole-6-carboxamide is CC[C@@H](C)[C@@H](CO)NC(=O)c1ccc2ccn(CCOC)c2c1.
What is the InChIKey of N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-1-(2-methoxyethyl)indole-6-carboxamide?
The InChIKey is OEHZKACLULQJSN-CZUORRHYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-4-13(2)16(12-21)19-18(22)15-6-5-14-7-8-20(9-10-23-3)17(14)11-15/h5-8,11,13,16,21H,4,9-10,12H2,1-3H3,(H,19,22)/t13-,16-/m1/s1.
What are the key properties of N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-1-(2-methoxyethyl)indole-6-carboxamide?
N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-1-(2-methoxyethyl)indole-6-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-1-(2-methoxyethyl)indole-6-carboxamide is sourced from PubChem (CID 110205741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).