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

C23H23N3O3 — CID 7125814

IUPAC4-imino-N-(3-methoxyphenyl)-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)Nc1cccc(OC)c1)CCCN4CCC3
InChIInChI=1S/C23H23N3O3/c1-28-17-7-2-6-16(13-17)25-23(27)19-12-15-11-14-5-3-9-26-10-4-8-18(20(14)26)21(15)29-22(19)24/h2,6-7,11-13,24H,3-5,8-10H2,1H3,(H,25,27)/b24-22-
InChIKeyHLNNSIRADWYDDC-GYHWCHFESA-N
MW389.46 g/mol
LogP3.87
Rot. Bonds3

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

4-imino-N-(3-methoxyphenyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide (PubChem CID 7125814) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-imino-N-(3-methoxyphenyl)-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-(3-methoxyphenyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide
PubChem CID7125814
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name4-imino-N-(3-methoxyphenyl)-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)Nc1cccc(OC)c1)CCCN4CCC3
InChIInChI=1S/C23H23N3O3/c1-28-17-7-2-6-16(13-17)25-23(27)19-12-15-11-14-5-3-9-26-10-4-8-18(20(14)26)21(15)29-22(19)24/h2,6-7,11-13,24H,3-5,8-10H2,1H3,(H,25,27)/b24-22-
InChIKeyHLNNSIRADWYDDC-GYHWCHFESA-N
XLogP3.87
TPSA78.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 4-imino-N-(3-methoxyphenyl)-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-(3-methoxyphenyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide (CID 7125814) is 4-imino-N-(3-methoxyphenyl)-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-(3-methoxyphenyl)-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-(3-methoxyphenyl)-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)Nc1cccc(OC)c1)CCCN4CCC3.
What is the InChIKey of 4-imino-N-(3-methoxyphenyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide?
The InChIKey is HLNNSIRADWYDDC-GYHWCHFESA-N. The full InChI is InChI=1S/C23H23N3O3/c1-28-17-7-2-6-16(13-17)25-23(27)19-12-15-11-14-5-3-9-26-10-4-8-18(20(14)26)21(15)29-22(19)24/h2,6-7,11-13,24H,3-5,8-10H2,1H3,(H,25,27)/b24-22-.
What are the key properties of 4-imino-N-(3-methoxyphenyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide?
4-imino-N-(3-methoxyphenyl)-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 389.46 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-N-(3-methoxyphenyl)-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 7125814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).