N-[15-[2-(dimethylamino)ethyl]-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-11-yl]-2,2-dimethylpropanamide

C25H27N3O3 — CID 10341910

IUPACN-[15-[2-(dimethylamino)ethyl]-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-11-yl]-2,2-dimethylpropanamide
SMILESCN(C)CCN1C(=O)c2cc(NC(=O)C(C)(C)C)cc3cc4ccccc4c(c23)C1=O
InChIInChI=1S/C25H27N3O3/c1-25(2,3)24(31)26-17-13-16-12-15-8-6-7-9-18(15)21-20(16)19(14-17)22(29)28(23(21)30)11-10-27(4)5/h6-9,12-14H,10-11H2,1-5H3,(H,26,31)
InChIKeyURHORUSQPATJLJ-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.14
Rot. Bonds4

About N-[15-[2-(dimethylamino)ethyl]-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-11-yl]-2,2-dimethylpropanamide

N-[15-[2-(dimethylamino)ethyl]-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-11-yl]-2,2-dimethylpropanamide (PubChem CID 10341910) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[15-[2-(dimethylamino)ethyl]-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-11-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[15-[2-(dimethylamino)ethyl]-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-11-yl]-2,2-dimethylpropanamide
PubChem CID10341910
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC NameN-[15-[2-(dimethylamino)ethyl]-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-11-yl]-2,2-dimethylpropanamide
SMILESCN(C)CCN1C(=O)c2cc(NC(=O)C(C)(C)C)cc3cc4ccccc4c(c23)C1=O
InChIInChI=1S/C25H27N3O3/c1-25(2,3)24(31)26-17-13-16-12-15-8-6-7-9-18(15)21-20(16)19(14-17)22(29)28(23(21)30)11-10-27(4)5/h6-9,12-14H,10-11H2,1-5H3,(H,26,31)
InChIKeyURHORUSQPATJLJ-UHFFFAOYSA-N
XLogP4.14
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-[15-[2-(dimethylamino)ethyl]-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-11-yl]-2,2-dimethylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[15-[2-(dimethylamino)ethyl]-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-11-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[15-[2-(dimethylamino)ethyl]-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-11-yl]-2,2-dimethylpropanamide (CID 10341910) is N-[15-[2-(dimethylamino)ethyl]-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-11-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[15-[2-(dimethylamino)ethyl]-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-11-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[15-[2-(dimethylamino)ethyl]-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-11-yl]-2,2-dimethylpropanamide is CN(C)CCN1C(=O)c2cc(NC(=O)C(C)(C)C)cc3cc4ccccc4c(c23)C1=O.
What is the InChIKey of N-[15-[2-(dimethylamino)ethyl]-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-11-yl]-2,2-dimethylpropanamide?
The InChIKey is URHORUSQPATJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-25(2,3)24(31)26-17-13-16-12-15-8-6-7-9-18(15)21-20(16)19(14-17)22(29)28(23(21)30)11-10-27(4)5/h6-9,12-14H,10-11H2,1-5H3,(H,26,31).
What are the key properties of N-[15-[2-(dimethylamino)ethyl]-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-11-yl]-2,2-dimethylpropanamide?
N-[15-[2-(dimethylamino)ethyl]-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-11-yl]-2,2-dimethylpropanamide has a molecular weight of 417.51 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[15-[2-(dimethylamino)ethyl]-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-11-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 10341910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).