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

C21H24N4O2 — CID 58777497

IUPAC2-[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
SMILESCN(C)CCN(C)CC(=O)Nc1ccc2[nH]c(=O)c3cccc4c3c2c1C4
InChIInChI=1S/C21H24N4O2/c1-24(2)9-10-25(3)12-18(26)22-16-7-8-17-20-15(16)11-13-5-4-6-14(19(13)20)21(27)23-17/h4-8H,9-12H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyKMTCIIXTNKFHPJ-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.02
Rot. Bonds6

About 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

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 (PubChem CID 58777497) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID58777497
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-[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
SMILESCN(C)CCN(C)CC(=O)Nc1ccc2[nH]c(=O)c3cccc4c3c2c1C4
InChIInChI=1S/C21H24N4O2/c1-24(2)9-10-25(3)12-18(26)22-16-7-8-17-20-15(16)11-13-5-4-6-14(19(13)20)21(27)23-17/h4-8H,9-12H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyKMTCIIXTNKFHPJ-UHFFFAOYSA-N
XLogP2.02
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.02
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

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
N-[3-(dimethylamino)propyl]-N-methyl-7-oxo-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8,10,12-hexaene-2-sulfonamide
CID 58777474
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
N-ethyl-7-oxo-N-propyl-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8,10,12-hexaene-2-sulfonamide
CID 142261891
4-(dimethylamino)-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-10-yl)butanamide
CID 11847527
2-[benzyl(methyl)amino]-N-naphthalen-1-ylacetamide
CID 8901088
2-(dimethylamino)-N-(6-oxo-5H-phenanthridin-8-yl)acetamide
CID 11162234
4-(dimethylamino)-N-(5-methyl-1-oxo-2H-isoquinolin-3-yl)butanamide
CID 22931238
3-[[2-(2-fluoroanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60987825
N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 652088
N-(2-fluorophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135473828
2-(diethylamino)-N-naphthalen-1-ylacetamide
CID 6421395

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)CCN(C)CC(=O)Nc1ccc2[nH]c(=O)c3cccc4c3c2c1C4.
What is the InChIKey of 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?
The InChIKey is KMTCIIXTNKFHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-24(2)9-10-25(3)12-18(26)22-16-7-8-17-20-15(16)11-13-5-4-6-14(19(13)20)21(27)23-17/h4-8H,9-12H2,1-3H3,(H,22,26)(H,23,27).
What are the key properties of 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?
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 has a molecular weight of 364.45 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58777497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).