N-ethyl-2-[5-(2-morpholin-4-ylethyl)-2,6-dioxo-11-phenyl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]acetamide

C24H28N6O4 — CID 42816503

IUPACN-ethyl-2-[5-(2-morpholin-4-ylethyl)-2,6-dioxo-11-phenyl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]acetamide
SMILESCCNC(=O)Cn1c2c(c(=O)n3nc(-c4ccccc4)cc13)CN(CCN1CCOCC1)C2=O
InChIInChI=1S/C24H28N6O4/c1-2-25-20(31)16-29-21-14-19(17-6-4-3-5-7-17)26-30(21)23(32)18-15-28(24(33)22(18)29)9-8-27-10-12-34-13-11-27/h3-7,14H,2,8-13,15-16H2,1H3,(H,25,31)
InChIKeyITWSQBCACPBMAT-UHFFFAOYSA-N
MW464.53 g/mol
LogP0.59
Rot. Bonds7

About N-ethyl-2-[5-(2-morpholin-4-ylethyl)-2,6-dioxo-11-phenyl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]acetamide

N-ethyl-2-[5-(2-morpholin-4-ylethyl)-2,6-dioxo-11-phenyl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]acetamide (PubChem CID 42816503) has the molecular formula C24H28N6O4 and a molecular weight of 464.53 g/mol. Its IUPAC name is N-ethyl-2-[5-(2-morpholin-4-ylethyl)-2,6-dioxo-11-phenyl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[5-(2-morpholin-4-ylethyl)-2,6-dioxo-11-phenyl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]acetamide
PubChem CID42816503
Molecular FormulaC24H28N6O4
Molecular Weight464.53 g/mol
Exact Mass464.22
IUPAC NameN-ethyl-2-[5-(2-morpholin-4-ylethyl)-2,6-dioxo-11-phenyl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]acetamide
SMILESCCNC(=O)Cn1c2c(c(=O)n3nc(-c4ccccc4)cc13)CN(CCN1CCOCC1)C2=O
InChIInChI=1S/C24H28N6O4/c1-2-25-20(31)16-29-21-14-19(17-6-4-3-5-7-17)26-30(21)23(32)18-15-28(24(33)22(18)29)9-8-27-10-12-34-13-11-27/h3-7,14H,2,8-13,15-16H2,1H3,(H,25,31)
InChIKeyITWSQBCACPBMAT-UHFFFAOYSA-N
XLogP0.59
TPSA101.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-ethyl-2-[5-(2-morpholin-4-ylethyl)-2,6-dioxo-11-phenyl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]acetamide with MolForge

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Related Compounds

2-(5-butyl-2,6-dioxo-11-phenyl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl)-N-phenylacetamide
CID 2813828
2-(5-butyl-2,6-dioxo-11-phenyl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl)-N-propan-2-ylacetamide
CID 136590448
2-[2,6-dioxo-5-(oxolan-2-ylmethyl)-11-phenyl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]-N-(2-methylpropyl)acetamide
CID 46138134
N-(2-morpholin-4-ylethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053341
2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 23604016
5-cyclohexyl-8-[(2E)-2-hydroxyimino-2-phenylethyl]-11-phenyl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-2,6-dione
CID 19887857
5-cyclohexyl-8-(2-hydroxyimino-2-phenylethyl)-11-phenyl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-2,6-dione
CID 86746003
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 4582591
2-[2-(3-chlorophenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]-N-ethylacetamide
CID 53319604
3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 20862990
2-[11-(3,6-dihydro-2H-pyran-4-yl)-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]acetic acid
CID 166784806
2-(2-morpholin-4-ylethylsulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 134064684

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[5-(2-morpholin-4-ylethyl)-2,6-dioxo-11-phenyl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]acetamide?
The IUPAC name of N-ethyl-2-[5-(2-morpholin-4-ylethyl)-2,6-dioxo-11-phenyl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]acetamide (CID 42816503) is N-ethyl-2-[5-(2-morpholin-4-ylethyl)-2,6-dioxo-11-phenyl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[5-(2-morpholin-4-ylethyl)-2,6-dioxo-11-phenyl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]acetamide?
The canonical SMILES for N-ethyl-2-[5-(2-morpholin-4-ylethyl)-2,6-dioxo-11-phenyl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]acetamide is CCNC(=O)Cn1c2c(c(=O)n3nc(-c4ccccc4)cc13)CN(CCN1CCOCC1)C2=O.
What is the InChIKey of N-ethyl-2-[5-(2-morpholin-4-ylethyl)-2,6-dioxo-11-phenyl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]acetamide?
The InChIKey is ITWSQBCACPBMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O4/c1-2-25-20(31)16-29-21-14-19(17-6-4-3-5-7-17)26-30(21)23(32)18-15-28(24(33)22(18)29)9-8-27-10-12-34-13-11-27/h3-7,14H,2,8-13,15-16H2,1H3,(H,25,31).
What are the key properties of N-ethyl-2-[5-(2-morpholin-4-ylethyl)-2,6-dioxo-11-phenyl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]acetamide?
N-ethyl-2-[5-(2-morpholin-4-ylethyl)-2,6-dioxo-11-phenyl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]acetamide has a molecular weight of 464.53 g/mol, XLogP of 0.59, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[5-(2-morpholin-4-ylethyl)-2,6-dioxo-11-phenyl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]acetamide is sourced from PubChem (CID 42816503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).