11-(cyclopropylmethyl)-4-hydroxy-N-(2-phenylethyl)-11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5,15-tetraene-16-carboxamide

C29H34N2O2 — CID 70685365

IUPAC11-(cyclopropylmethyl)-4-hydroxy-N-(2-phenylethyl)-11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5,15-tetraene-16-carboxamide
SMILESO=C(NCCc1ccccc1)C1=CCC23CCN(CC4CC4)CC2(C1)Cc1ccc(O)cc13
InChIInChI=1S/C29H34N2O2/c32-25-9-8-23-17-28-18-24(27(33)30-14-11-21-4-2-1-3-5-21)10-12-29(28,26(23)16-25)13-15-31(20-28)19-22-6-7-22/h1-5,8-10,16,22,32H,6-7,11-15,17-20H2,(H,30,33)
InChIKeyNTHJVYXPTLUAPN-UHFFFAOYSA-N
MW442.60 g/mol
LogP4.37
Rot. Bonds6

About 11-(cyclopropylmethyl)-4-hydroxy-N-(2-phenylethyl)-11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5,15-tetraene-16-carboxamide

11-(cyclopropylmethyl)-4-hydroxy-N-(2-phenylethyl)-11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5,15-tetraene-16-carboxamide (PubChem CID 70685365) has the molecular formula C29H34N2O2 and a molecular weight of 442.60 g/mol. Its IUPAC name is 11-(cyclopropylmethyl)-4-hydroxy-N-(2-phenylethyl)-11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5,15-tetraene-16-carboxamide.

Molecular Properties

Compound Name11-(cyclopropylmethyl)-4-hydroxy-N-(2-phenylethyl)-11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5,15-tetraene-16-carboxamide
PubChem CID70685365
Molecular FormulaC29H34N2O2
Molecular Weight442.60 g/mol
Exact Mass442.26
IUPAC Name11-(cyclopropylmethyl)-4-hydroxy-N-(2-phenylethyl)-11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5,15-tetraene-16-carboxamide
SMILESO=C(NCCc1ccccc1)C1=CCC23CCN(CC4CC4)CC2(C1)Cc1ccc(O)cc13
InChIInChI=1S/C29H34N2O2/c32-25-9-8-23-17-28-18-24(27(33)30-14-11-21-4-2-1-3-5-21)10-12-29(28,26(23)16-25)13-15-31(20-28)19-22-6-7-22/h1-5,8-10,16,22,32H,6-7,11-15,17-20H2,(H,30,33)
InChIKeyNTHJVYXPTLUAPN-UHFFFAOYSA-N
XLogP4.37
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.60
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 11-(cyclopropylmethyl)-4-hydroxy-N-(2-phenylethyl)-11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5,15-tetraene-16-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-(cyclopropylmethyl)-4-hydroxy-N-(2-phenylethyl)-11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5,15-tetraene-16-carboxamide?
The IUPAC name of 11-(cyclopropylmethyl)-4-hydroxy-N-(2-phenylethyl)-11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5,15-tetraene-16-carboxamide (CID 70685365) is 11-(cyclopropylmethyl)-4-hydroxy-N-(2-phenylethyl)-11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5,15-tetraene-16-carboxamide.
What is the SMILES notation for 11-(cyclopropylmethyl)-4-hydroxy-N-(2-phenylethyl)-11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5,15-tetraene-16-carboxamide?
The canonical SMILES for 11-(cyclopropylmethyl)-4-hydroxy-N-(2-phenylethyl)-11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5,15-tetraene-16-carboxamide is O=C(NCCc1ccccc1)C1=CCC23CCN(CC4CC4)CC2(C1)Cc1ccc(O)cc13.
What is the InChIKey of 11-(cyclopropylmethyl)-4-hydroxy-N-(2-phenylethyl)-11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5,15-tetraene-16-carboxamide?
The InChIKey is NTHJVYXPTLUAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O2/c32-25-9-8-23-17-28-18-24(27(33)30-14-11-21-4-2-1-3-5-21)10-12-29(28,26(23)16-25)13-15-31(20-28)19-22-6-7-22/h1-5,8-10,16,22,32H,6-7,11-15,17-20H2,(H,30,33).
What are the key properties of 11-(cyclopropylmethyl)-4-hydroxy-N-(2-phenylethyl)-11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5,15-tetraene-16-carboxamide?
11-(cyclopropylmethyl)-4-hydroxy-N-(2-phenylethyl)-11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5,15-tetraene-16-carboxamide has a molecular weight of 442.60 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(cyclopropylmethyl)-4-hydroxy-N-(2-phenylethyl)-11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5,15-tetraene-16-carboxamide is sourced from PubChem (CID 70685365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).