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

C24H25N3O3 — CID 18834542

IUPACN-(2,4-dimethoxyphenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
SMILESCOc1ccc(NC(=O)C23CCC(c4nc5ccccc5nc42)C3(C)C)c(OC)c1
InChIInChI=1S/C24H25N3O3/c1-23(2)15-11-12-24(23,21-20(15)25-16-7-5-6-8-17(16)26-21)22(28)27-18-10-9-14(29-3)13-19(18)30-4/h5-10,13,15H,11-12H2,1-4H3,(H,27,28)
InChIKeyYHJUPAWJRPOZFZ-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.44
Rot. Bonds4

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

N-(2,4-dimethoxyphenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide (PubChem CID 18834542) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
PubChem CID18834542
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-(2,4-dimethoxyphenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
SMILESCOc1ccc(NC(=O)C23CCC(c4nc5ccccc5nc42)C3(C)C)c(OC)c1
InChIInChI=1S/C24H25N3O3/c1-23(2)15-11-12-24(23,21-20(15)25-16-7-5-6-8-17(16)26-21)22(28)27-18-10-9-14(29-3)13-19(18)30-4/h5-10,13,15H,11-12H2,1-4H3,(H,27,28)
InChIKeyYHJUPAWJRPOZFZ-UHFFFAOYSA-N
XLogP4.44
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,4-dimethoxyphenyl)-15,15-dimethyl-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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Related Compounds

N-(2-chlorophenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
CID 18834563
methyl 2-[(6,7-dichloro-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbonyl)amino]benzoate
CID 18834717
6,7-dichloro-15,15-dimethyl-N-(4-phenoxyphenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
CID 18834649
1-N'-(2,4-dimethoxyphenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983060
N-(2,4-dimethoxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 95905786
(2,4-dichlorophenyl) 15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxylate
CID 18834621
1-amino-N-(2,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 65466971
N-(2,4-dimethoxyphenyl)phenazine-1-carboxamide
CID 16824395
N-(2,4-dimethoxyphenyl)-3-methoxyquinoxaline-2-carboxamide
CID 50780781
1-amino-N-(2,4-dimethoxyphenyl)cyclobutane-1-carboxamide
CID 81167421
N-(2,4-dimethoxyphenyl)-1-phenylsulfanylcyclopropane-1-carboxamide
CID 100784930
1-N-(4-acetamidophenyl)-1-N'-(2,4-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983308

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide (CID 18834542) is N-(2,4-dimethoxyphenyl)-15,15-dimethyl-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-(2,4-dimethoxyphenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide is COc1ccc(NC(=O)C23CCC(c4nc5ccccc5nc42)C3(C)C)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
The InChIKey is YHJUPAWJRPOZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-23(2)15-11-12-24(23,21-20(15)25-16-7-5-6-8-17(16)26-21)22(28)27-18-10-9-14(29-3)13-19(18)30-4/h5-10,13,15H,11-12H2,1-4H3,(H,27,28).
What are the key properties of N-(2,4-dimethoxyphenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
N-(2,4-dimethoxyphenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide is sourced from PubChem (CID 18834542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).