N-[2-(1H-indol-3-yl)ethyl]-N'-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]oxamide

C24H24N4O3 — CID 51468139

IUPACN-[2-(1H-indol-3-yl)ethyl]-N'-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]oxamide
SMILESC[C@H]1C(=O)N2CCCc3cc(NC(=O)C(=O)NCCc4c[nH]c5ccccc45)cc1c32
InChIInChI=1S/C24H24N4O3/c1-14-19-12-17(11-15-5-4-10-28(21(15)19)24(14)31)27-23(30)22(29)25-9-8-16-13-26-20-7-3-2-6-18(16)20/h2-3,6-7,11-14,26H,4-5,8-10H2,1H3,(H,25,29)(H,27,30)/t14-/m1/s1
InChIKeyRHNJTTIJCQAXTK-CQSZACIVSA-N
MW416.48 g/mol
LogP2.86
Rot. Bonds4

About N-[2-(1H-indol-3-yl)ethyl]-N'-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]oxamide

N-[2-(1H-indol-3-yl)ethyl]-N'-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]oxamide (PubChem CID 51468139) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-N'-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]oxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-N'-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]oxamide
PubChem CID51468139
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-N'-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]oxamide
SMILESC[C@H]1C(=O)N2CCCc3cc(NC(=O)C(=O)NCCc4c[nH]c5ccccc45)cc1c32
InChIInChI=1S/C24H24N4O3/c1-14-19-12-17(11-15-5-4-10-28(21(15)19)24(14)31)27-23(30)22(29)25-9-8-16-13-26-20-7-3-2-6-18(16)20/h2-3,6-7,11-14,26H,4-5,8-10H2,1H3,(H,25,29)(H,27,30)/t14-/m1/s1
InChIKeyRHNJTTIJCQAXTK-CQSZACIVSA-N
XLogP2.86
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(1H-indol-3-yl)ethyl]-N'-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]oxamide 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

N-[(4-fluorophenyl)methyl]-N'-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]oxamide
CID 51468128
N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 7657010
N-[(2-methoxyphenyl)methyl]-N'-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]oxamide
CID 51468135
N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)butanamide
CID 18577989
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)oxamide
CID 90605276
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide
CID 108505742
2-fluoro-N-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzamide
CID 7526566
methyl 2-[[(3S)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]carbamoyl]benzoate
CID 7526641
3-methyl-N-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzamide
CID 7526625
N'-[4-(dimethylamino)phenyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 7585548
N-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide
CID 2026350
N-[2-(1H-indol-3-yl)ethyl]-2-[(3S)-3-methylpiperidin-1-yl]-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
CID 93052897

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-N'-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]oxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-N'-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]oxamide (CID 51468139) is N-[2-(1H-indol-3-yl)ethyl]-N'-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]oxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-N'-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]oxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-N'-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]oxamide is C[C@H]1C(=O)N2CCCc3cc(NC(=O)C(=O)NCCc4c[nH]c5ccccc45)cc1c32.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-N'-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]oxamide?
The InChIKey is RHNJTTIJCQAXTK-CQSZACIVSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-14-19-12-17(11-15-5-4-10-28(21(15)19)24(14)31)27-23(30)22(29)25-9-8-16-13-26-20-7-3-2-6-18(16)20/h2-3,6-7,11-14,26H,4-5,8-10H2,1H3,(H,25,29)(H,27,30)/t14-/m1/s1.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-N'-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]oxamide?
N-[2-(1H-indol-3-yl)ethyl]-N'-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]oxamide has a molecular weight of 416.48 g/mol, XLogP of 2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-N'-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]oxamide is sourced from PubChem (CID 51468139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).