N,N-dimethyl-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide

C23H26N2O — CID 5195207

IUPACN,N-dimethyl-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide
SMILESCN(C)C(=O)c1ccc2c(c1)C1C3CCC(C3)C1C(c1ccccc1)N2
InChIInChI=1S/C23H26N2O/c1-25(2)23(26)17-10-11-19-18(13-17)20-15-8-9-16(12-15)21(20)22(24-19)14-6-4-3-5-7-14/h3-7,10-11,13,15-16,20-22,24H,8-9,12H2,1-2H3
InChIKeyPNIQDALMXTWOSU-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.68
Rot. Bonds2

About N,N-dimethyl-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide

N,N-dimethyl-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide (PubChem CID 5195207) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is N,N-dimethyl-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide
PubChem CID5195207
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC NameN,N-dimethyl-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide
SMILESCN(C)C(=O)c1ccc2c(c1)C1C3CCC(C3)C1C(c1ccccc1)N2
InChIInChI=1S/C23H26N2O/c1-25(2)23(26)17-10-11-19-18(13-17)20-15-8-9-16(12-15)21(20)22(24-19)14-6-4-3-5-7-14/h3-7,10-11,13,15-16,20-22,24H,8-9,12H2,1-2H3
InChIKeyPNIQDALMXTWOSU-UHFFFAOYSA-N
XLogP4.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide?
The IUPAC name of N,N-dimethyl-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide (CID 5195207) is N,N-dimethyl-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide.
What is the SMILES notation for N,N-dimethyl-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide?
The canonical SMILES for N,N-dimethyl-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide is CN(C)C(=O)c1ccc2c(c1)C1C3CCC(C3)C1C(c1ccccc1)N2.
What is the InChIKey of N,N-dimethyl-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide?
The InChIKey is PNIQDALMXTWOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c1-25(2)23(26)17-10-11-19-18(13-17)20-15-8-9-16(12-15)21(20)22(24-19)14-6-4-3-5-7-14/h3-7,10-11,13,15-16,20-22,24H,8-9,12H2,1-2H3.
What are the key properties of N,N-dimethyl-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide?
N,N-dimethyl-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide is sourced from PubChem (CID 5195207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).