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

C27H30N2O2 — CID 70689558

IUPAC11-(cyclopropylmethyl)-4-hydroxy-N-phenyl-11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5,15-tetraene-16-carboxamide
SMILESO=C(Nc1ccccc1)C1=CCC23CCN(CC4CC4)CC2(C1)Cc1ccc(O)cc13
InChIInChI=1S/C27H30N2O2/c30-23-9-8-20-15-26-16-21(25(31)28-22-4-2-1-3-5-22)10-11-27(26,24(20)14-23)12-13-29(18-26)17-19-6-7-19/h1-5,8-10,14,19,30H,6-7,11-13,15-18H2,(H,28,31)
InChIKeyZPUNRBOAUGQHGN-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.65
Rot. Bonds4

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

11-(cyclopropylmethyl)-4-hydroxy-N-phenyl-11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5,15-tetraene-16-carboxamide (PubChem CID 70689558) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is 11-(cyclopropylmethyl)-4-hydroxy-N-phenyl-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-phenyl-11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5,15-tetraene-16-carboxamide
PubChem CID70689558
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC Name11-(cyclopropylmethyl)-4-hydroxy-N-phenyl-11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5,15-tetraene-16-carboxamide
SMILESO=C(Nc1ccccc1)C1=CCC23CCN(CC4CC4)CC2(C1)Cc1ccc(O)cc13
InChIInChI=1S/C27H30N2O2/c30-23-9-8-20-15-26-16-21(25(31)28-22-4-2-1-3-5-22)10-11-27(26,24(20)14-23)12-13-29(18-26)17-19-6-7-19/h1-5,8-10,14,19,30H,6-7,11-13,15-18H2,(H,28,31)
InChIKeyZPUNRBOAUGQHGN-UHFFFAOYSA-N
XLogP4.65
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-(cyclopropylmethyl)-4-hydroxy-N-phenyl-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-phenyl-11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5,15-tetraene-16-carboxamide (CID 70689558) is 11-(cyclopropylmethyl)-4-hydroxy-N-phenyl-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-phenyl-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-phenyl-11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5,15-tetraene-16-carboxamide is O=C(Nc1ccccc1)C1=CCC23CCN(CC4CC4)CC2(C1)Cc1ccc(O)cc13.
What is the InChIKey of 11-(cyclopropylmethyl)-4-hydroxy-N-phenyl-11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5,15-tetraene-16-carboxamide?
The InChIKey is ZPUNRBOAUGQHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O2/c30-23-9-8-20-15-26-16-21(25(31)28-22-4-2-1-3-5-22)10-11-27(26,24(20)14-23)12-13-29(18-26)17-19-6-7-19/h1-5,8-10,14,19,30H,6-7,11-13,15-18H2,(H,28,31).
What are the key properties of 11-(cyclopropylmethyl)-4-hydroxy-N-phenyl-11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5,15-tetraene-16-carboxamide?
11-(cyclopropylmethyl)-4-hydroxy-N-phenyl-11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5,15-tetraene-16-carboxamide has a molecular weight of 414.55 g/mol, XLogP of 4.65, 4 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-phenyl-11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5,15-tetraene-16-carboxamide is sourced from PubChem (CID 70689558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).