N-(4-methyl-2-oxochromen-7-yl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxamide

C18H20N2O4 — CID 118780195

IUPACN-(4-methyl-2-oxochromen-7-yl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxamide
SMILESCc1cc(=O)oc2cc(NC(=O)N3CCC4(CCO4)CC3)ccc12
InChIInChI=1S/C18H20N2O4/c1-12-10-16(21)24-15-11-13(2-3-14(12)15)19-17(22)20-7-4-18(5-8-20)6-9-23-18/h2-3,10-11H,4-9H2,1H3,(H,19,22)
InChIKeyAOTDQZNTSYAZSJ-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.89
Rot. Bonds1

About N-(4-methyl-2-oxochromen-7-yl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxamide

N-(4-methyl-2-oxochromen-7-yl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxamide (PubChem CID 118780195) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(4-methyl-2-oxochromen-7-yl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-oxochromen-7-yl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxamide
PubChem CID118780195
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-(4-methyl-2-oxochromen-7-yl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxamide
SMILESCc1cc(=O)oc2cc(NC(=O)N3CCC4(CCO4)CC3)ccc12
InChIInChI=1S/C18H20N2O4/c1-12-10-16(21)24-15-11-13(2-3-14(12)15)19-17(22)20-7-4-18(5-8-20)6-9-23-18/h2-3,10-11H,4-9H2,1H3,(H,19,22)
InChIKeyAOTDQZNTSYAZSJ-UHFFFAOYSA-N
XLogP2.89
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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2-(5-methyl-1,2-oxazol-3-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-oxochromen-7-yl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of N-(4-methyl-2-oxochromen-7-yl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxamide (CID 118780195) is N-(4-methyl-2-oxochromen-7-yl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for N-(4-methyl-2-oxochromen-7-yl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for N-(4-methyl-2-oxochromen-7-yl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxamide is Cc1cc(=O)oc2cc(NC(=O)N3CCC4(CCO4)CC3)ccc12.
What is the InChIKey of N-(4-methyl-2-oxochromen-7-yl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxamide?
The InChIKey is AOTDQZNTSYAZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-12-10-16(21)24-15-11-13(2-3-14(12)15)19-17(22)20-7-4-18(5-8-20)6-9-23-18/h2-3,10-11H,4-9H2,1H3,(H,19,22).
What are the key properties of N-(4-methyl-2-oxochromen-7-yl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxamide?
N-(4-methyl-2-oxochromen-7-yl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-oxochromen-7-yl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 118780195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).