4-methoxy-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide

C15H18N2O3 — CID 4974998

IUPAC4-methoxy-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
SMILESCOc1cccc2[nH]c(C(=O)NCC3CCCO3)cc12
InChIInChI=1S/C15H18N2O3/c1-19-14-6-2-5-12-11(14)8-13(17-12)15(18)16-9-10-4-3-7-20-10/h2,5-6,8,10,17H,3-4,7,9H2,1H3,(H,16,18)
InChIKeyPVCQCLYUCATUTF-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.09
Rot. Bonds4

About 4-methoxy-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide

4-methoxy-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide (PubChem CID 4974998) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-methoxy-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
PubChem CID4974998
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name4-methoxy-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
SMILESCOc1cccc2[nH]c(C(=O)NCC3CCCO3)cc12
InChIInChI=1S/C15H18N2O3/c1-19-14-6-2-5-12-11(14)8-13(17-12)15(18)16-9-10-4-3-7-20-10/h2,5-6,8,10,17H,3-4,7,9H2,1H3,(H,16,18)
InChIKeyPVCQCLYUCATUTF-UHFFFAOYSA-N
XLogP2.09
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide?
The IUPAC name of 4-methoxy-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide (CID 4974998) is 4-methoxy-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 4-methoxy-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide is COc1cccc2[nH]c(C(=O)NCC3CCCO3)cc12.
What is the InChIKey of 4-methoxy-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide?
The InChIKey is PVCQCLYUCATUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-19-14-6-2-5-12-11(14)8-13(17-12)15(18)16-9-10-4-3-7-20-10/h2,5-6,8,10,17H,3-4,7,9H2,1H3,(H,16,18).
What are the key properties of 4-methoxy-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide?
4-methoxy-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 4974998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).