N-(3-methoxyphenyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide

C24H25N3O2 — CID 2951210

IUPACN-(3-methoxyphenyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
SMILESCOc1cccc(NC(=O)C23CCC(C)(c4nc5ccccc5nc42)C3(C)C)c1
InChIInChI=1S/C24H25N3O2/c1-22(2)23(3)12-13-24(22,21(28)25-15-8-7-9-16(14-15)29-4)20-19(23)26-17-10-5-6-11-18(17)27-20/h5-11,14H,12-13H2,1-4H3,(H,25,28)
InChIKeyQBTSPCMQWRGXCW-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.61
Rot. Bonds3

About N-(3-methoxyphenyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide

N-(3-methoxyphenyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide (PubChem CID 2951210) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
PubChem CID2951210
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC NameN-(3-methoxyphenyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
SMILESCOc1cccc(NC(=O)C23CCC(C)(c4nc5ccccc5nc42)C3(C)C)c1
InChIInChI=1S/C24H25N3O2/c1-22(2)23(3)12-13-24(22,21(28)25-15-8-7-9-16(14-15)29-4)20-19(23)26-17-10-5-6-11-18(17)27-20/h5-11,14H,12-13H2,1-4H3,(H,25,28)
InChIKeyQBTSPCMQWRGXCW-UHFFFAOYSA-N
XLogP4.61
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-methoxyphenyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide (CID 2951210) is N-(3-methoxyphenyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide is COc1cccc(NC(=O)C23CCC(C)(c4nc5ccccc5nc42)C3(C)C)c1.
What is the InChIKey of N-(3-methoxyphenyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
The InChIKey is QBTSPCMQWRGXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-22(2)23(3)12-13-24(22,21(28)25-15-8-7-9-16(14-15)29-4)20-19(23)26-17-10-5-6-11-18(17)27-20/h5-11,14H,12-13H2,1-4H3,(H,25,28).
What are the key properties of N-(3-methoxyphenyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
N-(3-methoxyphenyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide is sourced from PubChem (CID 2951210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).