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

C34H40N2O2 — CID 71463280

IUPAC10-(cyclopropylmethyl)-N-[2-[4-(2-methoxyphenyl)phenyl]ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
SMILESCOc1ccccc1-c1ccc(CCNC(=O)c2ccc3c(c2)C2(C)CCN(CC4CC4)C(C3)C2C)cc1
InChIInChI=1S/C34H40N2O2/c1-23-31-21-27-14-15-28(20-30(27)34(23,2)17-19-36(31)22-25-8-9-25)33(37)35-18-16-24-10-12-26(13-11-24)29-6-4-5-7-32(29)38-3/h4-7,10-15,20,23,25,31H,8-9,16-19,21-22H2,1-3H3,(H,35,37)
InChIKeyGGAPOKLXWIOMRA-UHFFFAOYSA-N
MW508.71 g/mol
LogP6.27
Rot. Bonds8

About 10-(cyclopropylmethyl)-N-[2-[4-(2-methoxyphenyl)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-(2-methoxyphenyl)phenyl]ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide (PubChem CID 71463280) has the molecular formula C34H40N2O2 and a molecular weight of 508.71 g/mol. Its IUPAC name is 10-(cyclopropylmethyl)-N-[2-[4-(2-methoxyphenyl)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-(2-methoxyphenyl)phenyl]ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
PubChem CID71463280
Molecular FormulaC34H40N2O2
Molecular Weight508.71 g/mol
Exact Mass508.31
IUPAC Name10-(cyclopropylmethyl)-N-[2-[4-(2-methoxyphenyl)phenyl]ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
SMILESCOc1ccccc1-c1ccc(CCNC(=O)c2ccc3c(c2)C2(C)CCN(CC4CC4)C(C3)C2C)cc1
InChIInChI=1S/C34H40N2O2/c1-23-31-21-27-14-15-28(20-30(27)34(23,2)17-19-36(31)22-25-8-9-25)33(37)35-18-16-24-10-12-26(13-11-24)29-6-4-5-7-32(29)38-3/h4-7,10-15,20,23,25,31H,8-9,16-19,21-22H2,1-3H3,(H,35,37)
InChIKeyGGAPOKLXWIOMRA-UHFFFAOYSA-N
XLogP6.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.71
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-(cyclopropylmethyl)-N-[2-[4-(2-methoxyphenyl)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-(2-methoxyphenyl)phenyl]ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide (CID 71463280) is 10-(cyclopropylmethyl)-N-[2-[4-(2-methoxyphenyl)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-(2-methoxyphenyl)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-(2-methoxyphenyl)phenyl]ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide is COc1ccccc1-c1ccc(CCNC(=O)c2ccc3c(c2)C2(C)CCN(CC4CC4)C(C3)C2C)cc1.
What is the InChIKey of 10-(cyclopropylmethyl)-N-[2-[4-(2-methoxyphenyl)phenyl]ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide?
The InChIKey is GGAPOKLXWIOMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N2O2/c1-23-31-21-27-14-15-28(20-30(27)34(23,2)17-19-36(31)22-25-8-9-25)33(37)35-18-16-24-10-12-26(13-11-24)29-6-4-5-7-32(29)38-3/h4-7,10-15,20,23,25,31H,8-9,16-19,21-22H2,1-3H3,(H,35,37).
What are the key properties of 10-(cyclopropylmethyl)-N-[2-[4-(2-methoxyphenyl)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-(2-methoxyphenyl)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 508.71 g/mol, XLogP of 6.27, 8 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-(2-methoxyphenyl)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 71463280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).