N-[4-[(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)amino]phenyl]acetamide

C25H19N3O3 — CID 1263816

IUPACN-[4-[(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)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2c3c4c(cccc4n(C)c2=O)C(=O)c2ccccc2-3)cc1
InChIInChI=1S/C25H19N3O3/c1-14(29)26-15-10-12-16(13-11-15)27-23-22-17-6-3-4-7-18(17)24(30)19-8-5-9-20(21(19)22)28(2)25(23)31/h3-13,27H,1-2H3,(H,26,29)
InChIKeyNSXGTPLKOMEUHW-UHFFFAOYSA-N
MW409.45 g/mol
LogP4.45
Rot. Bonds3

About N-[4-[(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)amino]phenyl]acetamide

N-[4-[(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)amino]phenyl]acetamide (PubChem CID 1263816) has the molecular formula C25H19N3O3 and a molecular weight of 409.45 g/mol. Its IUPAC name is N-[4-[(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)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(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)amino]phenyl]acetamide
PubChem CID1263816
Molecular FormulaC25H19N3O3
Molecular Weight409.45 g/mol
Exact Mass409.14
IUPAC NameN-[4-[(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)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2c3c4c(cccc4n(C)c2=O)C(=O)c2ccccc2-3)cc1
InChIInChI=1S/C25H19N3O3/c1-14(29)26-15-10-12-16(13-11-15)27-23-22-17-6-3-4-7-18(17)24(30)19-8-5-9-20(21(19)22)28(2)25(23)31/h3-13,27H,1-2H3,(H,26,29)
InChIKeyNSXGTPLKOMEUHW-UHFFFAOYSA-N
XLogP4.45
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[(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)amino]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

16-(3,4-dimethylanilino)-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione
CID 7573632
16-bromo-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione
CID 824420
N-[3-[(16-benzoyl-14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaen-10-yl)amino]phenyl]acetamide
CID 11858528
N-(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 3376321
N-(9,10-dioxoanthracen-2-yl)acetamide;ethane
CID 143974024
N-(4-anilino-9,10-dioxoanthracen-1-yl)acetamide
CID 5166275
N-[4-(2,6-dichloroanilino)phenyl]acetamide
CID 112989665
3-(4-fluoroanilino)-1-methyl-4-phenylquinolin-2-one
CID 45123270
N-(3-anilino-1,4-dioxonaphthalen-2-yl)acetamide
CID 10662413
N-(9-methylidene-10-oxoanthracen-1-yl)acetamide
CID 138614732
N-[4-[[9,10-dioxo-4-[4-(propanoylamino)anilino]anthracen-1-yl]amino]phenyl]propanamide
CID 21486208
10-[4-(1-hydroxy-3-oxobutan-2-yl)anilino]-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione
CID 70879875

Frequently Asked Questions

What is the IUPAC name of N-[4-[(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)amino]phenyl]acetamide?
The IUPAC name of N-[4-[(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)amino]phenyl]acetamide (CID 1263816) is N-[4-[(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)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(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)amino]phenyl]acetamide?
The canonical SMILES for N-[4-[(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)amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2c3c4c(cccc4n(C)c2=O)C(=O)c2ccccc2-3)cc1.
What is the InChIKey of N-[4-[(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)amino]phenyl]acetamide?
The InChIKey is NSXGTPLKOMEUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O3/c1-14(29)26-15-10-12-16(13-11-15)27-23-22-17-6-3-4-7-18(17)24(30)19-8-5-9-20(21(19)22)28(2)25(23)31/h3-13,27H,1-2H3,(H,26,29).
What are the key properties of N-[4-[(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)amino]phenyl]acetamide?
N-[4-[(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)amino]phenyl]acetamide has a molecular weight of 409.45 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(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)amino]phenyl]acetamide is sourced from PubChem (CID 1263816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).