2-morpholin-4-yl-N-(7-oxo-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8,10,12-hexaen-2-yl)acetamide

C20H19N3O3 — CID 58777478

IUPAC2-morpholin-4-yl-N-(7-oxo-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8,10,12-hexaen-2-yl)acetamide
SMILESO=C(CN1CCOCC1)Nc1ccc2[nH]c(=O)c3cccc4c3c2c1C4
InChIInChI=1S/C20H19N3O3/c24-17(11-23-6-8-26-9-7-23)21-15-4-5-16-19-14(15)10-12-2-1-3-13(18(12)19)20(25)22-16/h1-5H,6-11H2,(H,21,24)(H,22,25)
InChIKeyGDMSWYDIGYFPNU-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.86
Rot. Bonds3

About 2-morpholin-4-yl-N-(7-oxo-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8,10,12-hexaen-2-yl)acetamide

2-morpholin-4-yl-N-(7-oxo-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8,10,12-hexaen-2-yl)acetamide (PubChem CID 58777478) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-(7-oxo-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8,10,12-hexaen-2-yl)acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-(7-oxo-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8,10,12-hexaen-2-yl)acetamide
PubChem CID58777478
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name2-morpholin-4-yl-N-(7-oxo-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8,10,12-hexaen-2-yl)acetamide
SMILESO=C(CN1CCOCC1)Nc1ccc2[nH]c(=O)c3cccc4c3c2c1C4
InChIInChI=1S/C20H19N3O3/c24-17(11-23-6-8-26-9-7-23)21-15-4-5-16-19-14(15)10-12-2-1-3-13(18(12)19)20(25)22-16/h1-5H,6-11H2,(H,21,24)(H,22,25)
InChIKeyGDMSWYDIGYFPNU-UHFFFAOYSA-N
XLogP1.86
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(7-oxo-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8,10,12-hexaen-2-yl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 58777462
2-[2-(dimethylamino)ethyl-methylamino]-N-(7-oxo-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8,10,12-hexaen-2-yl)acetamide
CID 58777497
N-(2-morpholin-4-ylethyl)-7-oxo-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8,10,12-hexaene-2-sulfonamide
CID 10294352
2-morpholin-4-yl-N-(2-oxo-1H-quinolin-3-yl)acetamide
CID 141167893
N-(2,3-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 755358
2-morpholin-4-yl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 4975216
N-isoquinolin-5-yl-2-morpholin-4-ylacetamide
CID 110483410
N-(2-methylphenyl)-2-morpholin-4-ylacetamide
CID 744983
2-(azepan-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide
CID 59335368
2-(4-methylpiperazin-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide
CID 59335360
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229
N-(2-methylphenyl)-2-morpholin-4-ylacetamide;oxalic acid
CID 175654128

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-(7-oxo-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8,10,12-hexaen-2-yl)acetamide?
The IUPAC name of 2-morpholin-4-yl-N-(7-oxo-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8,10,12-hexaen-2-yl)acetamide (CID 58777478) is 2-morpholin-4-yl-N-(7-oxo-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8,10,12-hexaen-2-yl)acetamide.
What is the SMILES notation for 2-morpholin-4-yl-N-(7-oxo-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8,10,12-hexaen-2-yl)acetamide?
The canonical SMILES for 2-morpholin-4-yl-N-(7-oxo-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8,10,12-hexaen-2-yl)acetamide is O=C(CN1CCOCC1)Nc1ccc2[nH]c(=O)c3cccc4c3c2c1C4.
What is the InChIKey of 2-morpholin-4-yl-N-(7-oxo-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8,10,12-hexaen-2-yl)acetamide?
The InChIKey is GDMSWYDIGYFPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c24-17(11-23-6-8-26-9-7-23)21-15-4-5-16-19-14(15)10-12-2-1-3-13(18(12)19)20(25)22-16/h1-5H,6-11H2,(H,21,24)(H,22,25).
What are the key properties of 2-morpholin-4-yl-N-(7-oxo-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8,10,12-hexaen-2-yl)acetamide?
2-morpholin-4-yl-N-(7-oxo-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8,10,12-hexaen-2-yl)acetamide has a molecular weight of 349.39 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-(7-oxo-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8,10,12-hexaen-2-yl)acetamide is sourced from PubChem (CID 58777478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).