N-[(4-ethoxyphenyl)methyl]-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide

C22H24N2O3 — CID 53049730

IUPACN-[(4-ethoxyphenyl)methyl]-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide
SMILESCCOc1ccc(CNC(=O)c2cc3cccc4c3n2CC(CC)O4)cc1
InChIInChI=1S/C22H24N2O3/c1-3-17-14-24-19(12-16-6-5-7-20(27-17)21(16)24)22(25)23-13-15-8-10-18(11-9-15)26-4-2/h5-12,17H,3-4,13-14H2,1-2H3,(H,23,25)
InChIKeySPNAZABOVBDWAG-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.14
Rot. Bonds6

About N-[(4-ethoxyphenyl)methyl]-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide

N-[(4-ethoxyphenyl)methyl]-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide (PubChem CID 53049730) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide
PubChem CID53049730
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-[(4-ethoxyphenyl)methyl]-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide
SMILESCCOc1ccc(CNC(=O)c2cc3cccc4c3n2CC(CC)O4)cc1
InChIInChI=1S/C22H24N2O3/c1-3-17-14-24-19(12-16-6-5-7-20(27-17)21(16)24)22(25)23-13-15-8-10-18(11-9-15)26-4-2/h5-12,17H,3-4,13-14H2,1-2H3,(H,23,25)
InChIKeySPNAZABOVBDWAG-UHFFFAOYSA-N
XLogP4.14
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide (CID 53049730) is N-[(4-ethoxyphenyl)methyl]-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide is CCOc1ccc(CNC(=O)c2cc3cccc4c3n2CC(CC)O4)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide?
The InChIKey is SPNAZABOVBDWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-3-17-14-24-19(12-16-6-5-7-20(27-17)21(16)24)22(25)23-13-15-8-10-18(11-9-15)26-4-2/h5-12,17H,3-4,13-14H2,1-2H3,(H,23,25).
What are the key properties of N-[(4-ethoxyphenyl)methyl]-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide?
N-[(4-ethoxyphenyl)methyl]-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide is sourced from PubChem (CID 53049730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).