4-imino-N-(4-methylphenyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide

C23H23N3O2 — CID 2135758

IUPAC4-imino-N-(4-methylphenyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide
SMILES[H]/N=c1\oc2c3c4c(cc2cc1C(=O)Nc1ccc(C)cc1)CCCN4CCC3
InChIInChI=1S/C23H23N3O2/c1-14-6-8-17(9-7-14)25-23(27)19-13-16-12-15-4-2-10-26-11-3-5-18(20(15)26)21(16)28-22(19)24/h6-9,12-13,24H,2-5,10-11H2,1H3,(H,25,27)/b24-22-
InChIKeyDZPLRFMCIXWGEI-GYHWCHFESA-N
MW373.46 g/mol
LogP4.17
Rot. Bonds2

About 4-imino-N-(4-methylphenyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide

4-imino-N-(4-methylphenyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide (PubChem CID 2135758) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 4-imino-N-(4-methylphenyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide.

Molecular Properties

Compound Name4-imino-N-(4-methylphenyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide
PubChem CID2135758
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name4-imino-N-(4-methylphenyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide
SMILES[H]/N=c1\oc2c3c4c(cc2cc1C(=O)Nc1ccc(C)cc1)CCCN4CCC3
InChIInChI=1S/C23H23N3O2/c1-14-6-8-17(9-7-14)25-23(27)19-13-16-12-15-4-2-10-26-11-3-5-18(20(15)26)21(16)28-22(19)24/h6-9,12-13,24H,2-5,10-11H2,1H3,(H,25,27)/b24-22-
InChIKeyDZPLRFMCIXWGEI-GYHWCHFESA-N
XLogP4.17
TPSA69.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-imino-N-(4-methylphenyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide?
The IUPAC name of 4-imino-N-(4-methylphenyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide (CID 2135758) is 4-imino-N-(4-methylphenyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide.
What is the SMILES notation for 4-imino-N-(4-methylphenyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide?
The canonical SMILES for 4-imino-N-(4-methylphenyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide is [H]/N=c1\oc2c3c4c(cc2cc1C(=O)Nc1ccc(C)cc1)CCCN4CCC3.
What is the InChIKey of 4-imino-N-(4-methylphenyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide?
The InChIKey is DZPLRFMCIXWGEI-GYHWCHFESA-N. The full InChI is InChI=1S/C23H23N3O2/c1-14-6-8-17(9-7-14)25-23(27)19-13-16-12-15-4-2-10-26-11-3-5-18(20(15)26)21(16)28-22(19)24/h6-9,12-13,24H,2-5,10-11H2,1H3,(H,25,27)/b24-22-.
What are the key properties of 4-imino-N-(4-methylphenyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide?
4-imino-N-(4-methylphenyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 4.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-N-(4-methylphenyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide is sourced from PubChem (CID 2135758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).