4-(12-ethyl-4-methyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide

C25H28N4O3 — CID 20884153

IUPAC4-(12-ethyl-4-methyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
SMILESCCc1nn(CCCC(=O)NC2CCCc3ccccc32)c(=O)c2cc3oc(C)cc3n12
InChIInChI=1S/C25H28N4O3/c1-3-23-27-28(25(31)21-15-22-20(29(21)23)14-16(2)32-22)13-7-12-24(30)26-19-11-6-9-17-8-4-5-10-18(17)19/h4-5,8,10,14-15,19H,3,6-7,9,11-13H2,1-2H3,(H,26,30)
InChIKeyIRWOFTMFOFYOSB-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.09
Rot. Bonds6

About 4-(12-ethyl-4-methyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide

4-(12-ethyl-4-methyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide (PubChem CID 20884153) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 4-(12-ethyl-4-methyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide.

Molecular Properties

Compound Name4-(12-ethyl-4-methyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
PubChem CID20884153
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name4-(12-ethyl-4-methyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
SMILESCCc1nn(CCCC(=O)NC2CCCc3ccccc32)c(=O)c2cc3oc(C)cc3n12
InChIInChI=1S/C25H28N4O3/c1-3-23-27-28(25(31)21-15-22-20(29(21)23)14-16(2)32-22)13-7-12-24(30)26-19-11-6-9-17-8-4-5-10-18(17)19/h4-5,8,10,14-15,19H,3,6-7,9,11-13H2,1-2H3,(H,26,30)
InChIKeyIRWOFTMFOFYOSB-UHFFFAOYSA-N
XLogP4.09
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(12-ethyl-4-methyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide 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

4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 2477104
4-pyrazol-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 94821272
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]dodecanamide
CID 23624795
4-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 54924290
2-(4,8-dimethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 20884695
3-methylsulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 51456009
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate
CID 7792489
3-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 92746838
5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
CID 103601650
3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 92710870
ethyl 4-oxo-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butanoate
CID 7837641
3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 69220088

Frequently Asked Questions

What is the IUPAC name of 4-(12-ethyl-4-methyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide?
The IUPAC name of 4-(12-ethyl-4-methyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide (CID 20884153) is 4-(12-ethyl-4-methyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide.
What is the SMILES notation for 4-(12-ethyl-4-methyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide?
The canonical SMILES for 4-(12-ethyl-4-methyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide is CCc1nn(CCCC(=O)NC2CCCc3ccccc32)c(=O)c2cc3oc(C)cc3n12.
What is the InChIKey of 4-(12-ethyl-4-methyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide?
The InChIKey is IRWOFTMFOFYOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-3-23-27-28(25(31)21-15-22-20(29(21)23)14-16(2)32-22)13-7-12-24(30)26-19-11-6-9-17-8-4-5-10-18(17)19/h4-5,8,10,14-15,19H,3,6-7,9,11-13H2,1-2H3,(H,26,30).
What are the key properties of 4-(12-ethyl-4-methyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide?
4-(12-ethyl-4-methyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide has a molecular weight of 432.52 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(12-ethyl-4-methyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide is sourced from PubChem (CID 20884153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).