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

C35H42N2O2 — CID 58443218

IUPAC10-(cyclopropylmethyl)-N-[2-[4-(4-methoxy-2-methylphenyl)phenyl]ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
SMILESCOc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)C3(C)CCN(CC5CC5)C(C4)C3C)cc2)c(C)c1
InChIInChI=1S/C35H42N2O2/c1-23-19-30(39-4)13-14-31(23)27-9-7-25(8-10-27)15-17-36-34(38)29-12-11-28-21-33-24(2)35(3,32(28)20-29)16-18-37(33)22-26-5-6-26/h7-14,19-20,24,26,33H,5-6,15-18,21-22H2,1-4H3,(H,36,38)
InChIKeyDQBZWFHJDGWRNU-UHFFFAOYSA-N
MW522.73 g/mol
LogP6.58
Rot. Bonds8

About 10-(cyclopropylmethyl)-N-[2-[4-(4-methoxy-2-methylphenyl)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-methoxy-2-methylphenyl)phenyl]ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide (PubChem CID 58443218) has the molecular formula C35H42N2O2 and a molecular weight of 522.73 g/mol. Its IUPAC name is 10-(cyclopropylmethyl)-N-[2-[4-(4-methoxy-2-methylphenyl)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-methoxy-2-methylphenyl)phenyl]ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
PubChem CID58443218
Molecular FormulaC35H42N2O2
Molecular Weight522.73 g/mol
Exact Mass522.32
IUPAC Name10-(cyclopropylmethyl)-N-[2-[4-(4-methoxy-2-methylphenyl)phenyl]ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
SMILESCOc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)C3(C)CCN(CC5CC5)C(C4)C3C)cc2)c(C)c1
InChIInChI=1S/C35H42N2O2/c1-23-19-30(39-4)13-14-31(23)27-9-7-25(8-10-27)15-17-36-34(38)29-12-11-28-21-33-24(2)35(3,32(28)20-29)16-18-37(33)22-26-5-6-26/h7-14,19-20,24,26,33H,5-6,15-18,21-22H2,1-4H3,(H,36,38)
InChIKeyDQBZWFHJDGWRNU-UHFFFAOYSA-N
XLogP6.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.73
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 10-(cyclopropylmethyl)-N-[2-[4-(4-methoxy-2-methylphenyl)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-methoxy-2-methylphenyl)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-methoxy-2-methylphenyl)phenyl]ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide (CID 58443218) is 10-(cyclopropylmethyl)-N-[2-[4-(4-methoxy-2-methylphenyl)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-methoxy-2-methylphenyl)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-methoxy-2-methylphenyl)phenyl]ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide is COc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)C3(C)CCN(CC5CC5)C(C4)C3C)cc2)c(C)c1.
What is the InChIKey of 10-(cyclopropylmethyl)-N-[2-[4-(4-methoxy-2-methylphenyl)phenyl]ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide?
The InChIKey is DQBZWFHJDGWRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42N2O2/c1-23-19-30(39-4)13-14-31(23)27-9-7-25(8-10-27)15-17-36-34(38)29-12-11-28-21-33-24(2)35(3,32(28)20-29)16-18-37(33)22-26-5-6-26/h7-14,19-20,24,26,33H,5-6,15-18,21-22H2,1-4H3,(H,36,38).
What are the key properties of 10-(cyclopropylmethyl)-N-[2-[4-(4-methoxy-2-methylphenyl)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-methoxy-2-methylphenyl)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 522.73 g/mol, XLogP of 6.58, 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-(4-methoxy-2-methylphenyl)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 58443218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).