10-(cyclopropylmethyl)-N-[2-[4-[4-(difluoromethoxy)phenyl]phenyl]ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide

C34H38F2N2O2 — CID 71459820

IUPAC10-(cyclopropylmethyl)-N-[2-[4-[4-(difluoromethoxy)phenyl]phenyl]ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
SMILESCC1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccc(OC(F)F)cc5)cc4)cc3C1(C)CCN2CC1CC1
InChIInChI=1S/C34H38F2N2O2/c1-22-31-20-27-9-10-28(19-30(27)34(22,2)16-18-38(31)21-24-3-4-24)32(39)37-17-15-23-5-7-25(8-6-23)26-11-13-29(14-12-26)40-33(35)36/h5-14,19,22,24,31,33H,3-4,15-18,20-21H2,1-2H3,(H,37,39)
InChIKeyJGUXMSRMPQRTLO-UHFFFAOYSA-N
MW544.69 g/mol
LogP6.86
Rot. Bonds9

About 10-(cyclopropylmethyl)-N-[2-[4-[4-(difluoromethoxy)phenyl]phenyl]ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide

10-(cyclopropylmethyl)-N-[2-[4-[4-(difluoromethoxy)phenyl]phenyl]ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide (PubChem CID 71459820) has the molecular formula C34H38F2N2O2 and a molecular weight of 544.69 g/mol. Its IUPAC name is 10-(cyclopropylmethyl)-N-[2-[4-[4-(difluoromethoxy)phenyl]phenyl]ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide.

Molecular Properties

Compound Name10-(cyclopropylmethyl)-N-[2-[4-[4-(difluoromethoxy)phenyl]phenyl]ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
PubChem CID71459820
Molecular FormulaC34H38F2N2O2
Molecular Weight544.69 g/mol
Exact Mass544.29
IUPAC Name10-(cyclopropylmethyl)-N-[2-[4-[4-(difluoromethoxy)phenyl]phenyl]ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
SMILESCC1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccc(OC(F)F)cc5)cc4)cc3C1(C)CCN2CC1CC1
InChIInChI=1S/C34H38F2N2O2/c1-22-31-20-27-9-10-28(19-30(27)34(22,2)16-18-38(31)21-24-3-4-24)32(39)37-17-15-23-5-7-25(8-6-23)26-11-13-29(14-12-26)40-33(35)36/h5-14,19,22,24,31,33H,3-4,15-18,20-21H2,1-2H3,(H,37,39)
InChIKeyJGUXMSRMPQRTLO-UHFFFAOYSA-N
XLogP6.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.69
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 10-(cyclopropylmethyl)-N-[2-[4-[4-(difluoromethoxy)phenyl]phenyl]ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-(cyclopropylmethyl)-N-[2-[4-[4-(difluoromethoxy)phenyl]phenyl]ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide?
The IUPAC name of 10-(cyclopropylmethyl)-N-[2-[4-[4-(difluoromethoxy)phenyl]phenyl]ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide (CID 71459820) is 10-(cyclopropylmethyl)-N-[2-[4-[4-(difluoromethoxy)phenyl]phenyl]ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide.
What is the SMILES notation for 10-(cyclopropylmethyl)-N-[2-[4-[4-(difluoromethoxy)phenyl]phenyl]ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide?
The canonical SMILES for 10-(cyclopropylmethyl)-N-[2-[4-[4-(difluoromethoxy)phenyl]phenyl]ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide is CC1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccc(OC(F)F)cc5)cc4)cc3C1(C)CCN2CC1CC1.
What is the InChIKey of 10-(cyclopropylmethyl)-N-[2-[4-[4-(difluoromethoxy)phenyl]phenyl]ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide?
The InChIKey is JGUXMSRMPQRTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38F2N2O2/c1-22-31-20-27-9-10-28(19-30(27)34(22,2)16-18-38(31)21-24-3-4-24)32(39)37-17-15-23-5-7-25(8-6-23)26-11-13-29(14-12-26)40-33(35)36/h5-14,19,22,24,31,33H,3-4,15-18,20-21H2,1-2H3,(H,37,39).
What are the key properties of 10-(cyclopropylmethyl)-N-[2-[4-[4-(difluoromethoxy)phenyl]phenyl]ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide?
10-(cyclopropylmethyl)-N-[2-[4-[4-(difluoromethoxy)phenyl]phenyl]ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide has a molecular weight of 544.69 g/mol, XLogP of 6.86, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(cyclopropylmethyl)-N-[2-[4-[4-(difluoromethoxy)phenyl]phenyl]ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide is sourced from PubChem (CID 71459820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).