5-amino-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1H-indole-2-carboxamide

C19H26N4O2 — CID 146104826

IUPAC5-amino-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1H-indole-2-carboxamide
SMILESNc1ccc2[nH]c(C(=O)NCC3CCC4(CCNCC4)CO3)cc2c1
InChIInChI=1S/C19H26N4O2/c20-14-1-2-16-13(9-14)10-17(23-16)18(24)22-11-15-3-4-19(12-25-15)5-7-21-8-6-19/h1-2,9-10,15,21,23H,3-8,11-12,20H2,(H,22,24)
InChIKeySXWPFBXUXGFKCF-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.03
Rot. Bonds3

About 5-amino-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1H-indole-2-carboxamide

5-amino-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1H-indole-2-carboxamide (PubChem CID 146104826) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 5-amino-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1H-indole-2-carboxamide
PubChem CID146104826
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name5-amino-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1H-indole-2-carboxamide
SMILESNc1ccc2[nH]c(C(=O)NCC3CCC4(CCNCC4)CO3)cc2c1
InChIInChI=1S/C19H26N4O2/c20-14-1-2-16-13(9-14)10-17(23-16)18(24)22-11-15-3-4-19(12-25-15)5-7-21-8-6-19/h1-2,9-10,15,21,23H,3-8,11-12,20H2,(H,22,24)
InChIKeySXWPFBXUXGFKCF-UHFFFAOYSA-N
XLogP2.03
TPSA92.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-amino-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1H-indole-2-carboxamide (CID 146104826) is 5-amino-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-amino-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-amino-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1H-indole-2-carboxamide is Nc1ccc2[nH]c(C(=O)NCC3CCC4(CCNCC4)CO3)cc2c1.
What is the InChIKey of 5-amino-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1H-indole-2-carboxamide?
The InChIKey is SXWPFBXUXGFKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c20-14-1-2-16-13(9-14)10-17(23-16)18(24)22-11-15-3-4-19(12-25-15)5-7-21-8-6-19/h1-2,9-10,15,21,23H,3-8,11-12,20H2,(H,22,24).
What are the key properties of 5-amino-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1H-indole-2-carboxamide?
5-amino-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1H-indole-2-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.03, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 146104826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).