N-(14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-16-yl)acetamide

C19H14N2O3 — CID 686110

IUPACN-(14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-16-yl)acetamide
SMILESCC(=O)Nc1c2c3c(cccc3n(C)c1=O)C(=O)c1ccccc1-2
InChIInChI=1S/C19H14N2O3/c1-10(22)20-17-16-11-6-3-4-7-12(11)18(23)13-8-5-9-14(15(13)16)21(2)19(17)24/h3-9H,1-2H3,(H,20,22)
InChIKeyYXJIXVGNDXFWDV-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.71
Rot. Bonds1

About N-(14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-16-yl)acetamide

N-(14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-16-yl)acetamide (PubChem CID 686110) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is N-(14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-16-yl)acetamide.

Molecular Properties

Compound NameN-(14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-16-yl)acetamide
PubChem CID686110
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC NameN-(14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-16-yl)acetamide
SMILESCC(=O)Nc1c2c3c(cccc3n(C)c1=O)C(=O)c1ccccc1-2
InChIInChI=1S/C19H14N2O3/c1-10(22)20-17-16-11-6-3-4-7-12(11)18(23)13-8-5-9-14(15(13)16)21(2)19(17)24/h3-9H,1-2H3,(H,20,22)
InChIKeyYXJIXVGNDXFWDV-UHFFFAOYSA-N
XLogP2.71
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-16-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-16-yl)acetamide?
The IUPAC name of N-(14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-16-yl)acetamide (CID 686110) is N-(14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-16-yl)acetamide.
What is the SMILES notation for N-(14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-16-yl)acetamide?
The canonical SMILES for N-(14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-16-yl)acetamide is CC(=O)Nc1c2c3c(cccc3n(C)c1=O)C(=O)c1ccccc1-2.
What is the InChIKey of N-(14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-16-yl)acetamide?
The InChIKey is YXJIXVGNDXFWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c1-10(22)20-17-16-11-6-3-4-7-12(11)18(23)13-8-5-9-14(15(13)16)21(2)19(17)24/h3-9H,1-2H3,(H,20,22).
What are the key properties of N-(14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-16-yl)acetamide?
N-(14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-16-yl)acetamide has a molecular weight of 318.33 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-16-yl)acetamide is sourced from PubChem (CID 686110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).