3-(2-methoxyethyl)-N-(2-phenylethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide

C23H27N3O2 — CID 53140414

IUPAC3-(2-methoxyethyl)-N-(2-phenylethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide
SMILESCOCCn1cc2c3c(cccc31)CN(C(=O)NCCc1ccccc1)CC2
InChIInChI=1S/C23H27N3O2/c1-28-15-14-25-16-20-11-13-26(17-19-8-5-9-21(25)22(19)20)23(27)24-12-10-18-6-3-2-4-7-18/h2-9,16H,10-15,17H2,1H3,(H,24,27)
InChIKeyOMUJUJMOPDOHMS-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.60
Rot. Bonds6

About 3-(2-methoxyethyl)-N-(2-phenylethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide

3-(2-methoxyethyl)-N-(2-phenylethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide (PubChem CID 53140414) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-N-(2-phenylethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyethyl)-N-(2-phenylethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide
PubChem CID53140414
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name3-(2-methoxyethyl)-N-(2-phenylethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide
SMILESCOCCn1cc2c3c(cccc31)CN(C(=O)NCCc1ccccc1)CC2
InChIInChI=1S/C23H27N3O2/c1-28-15-14-25-16-20-11-13-26(17-19-8-5-9-21(25)22(19)20)23(27)24-12-10-18-6-3-2-4-7-18/h2-9,16H,10-15,17H2,1H3,(H,24,27)
InChIKeyOMUJUJMOPDOHMS-UHFFFAOYSA-N
XLogP3.60
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-N-(2-phenylethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide?
The IUPAC name of 3-(2-methoxyethyl)-N-(2-phenylethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide (CID 53140414) is 3-(2-methoxyethyl)-N-(2-phenylethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide.
What is the SMILES notation for 3-(2-methoxyethyl)-N-(2-phenylethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide?
The canonical SMILES for 3-(2-methoxyethyl)-N-(2-phenylethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide is COCCn1cc2c3c(cccc31)CN(C(=O)NCCc1ccccc1)CC2.
What is the InChIKey of 3-(2-methoxyethyl)-N-(2-phenylethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide?
The InChIKey is OMUJUJMOPDOHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-28-15-14-25-16-20-11-13-26(17-19-8-5-9-21(25)22(19)20)23(27)24-12-10-18-6-3-2-4-7-18/h2-9,16H,10-15,17H2,1H3,(H,24,27).
What are the key properties of 3-(2-methoxyethyl)-N-(2-phenylethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide?
3-(2-methoxyethyl)-N-(2-phenylethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-N-(2-phenylethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide is sourced from PubChem (CID 53140414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).