ethyl 2-(2,9,16,23-tetraoxo-1,10,13-triazatetracyclo[13.8.0.03,8.017,22]tricosa-3,5,7,17,19,21-hexaen-13-yl)acetate

C24H23N3O6 — CID 19704511

IUPACethyl 2-(2,9,16,23-tetraoxo-1,10,13-triazatetracyclo[13.8.0.03,8.017,22]tricosa-3,5,7,17,19,21-hexaen-13-yl)acetate
SMILESCCOC(=O)CN1CCNC(=O)c2ccccc2C(=O)N2C(=O)c3ccccc3C(=O)C2C1
InChIInChI=1S/C24H23N3O6/c1-2-33-20(28)14-26-12-11-25-22(30)16-8-4-6-10-18(16)24(32)27-19(13-26)21(29)15-7-3-5-9-17(15)23(27)31/h3-10,19H,2,11-14H2,1H3,(H,25,30)
InChIKeyQDSMDTHYXNDWFS-UHFFFAOYSA-N
MW449.46 g/mol
LogP1.14
Rot. Bonds3

About ethyl 2-(2,9,16,23-tetraoxo-1,10,13-triazatetracyclo[13.8.0.03,8.017,22]tricosa-3,5,7,17,19,21-hexaen-13-yl)acetate

ethyl 2-(2,9,16,23-tetraoxo-1,10,13-triazatetracyclo[13.8.0.03,8.017,22]tricosa-3,5,7,17,19,21-hexaen-13-yl)acetate (PubChem CID 19704511) has the molecular formula C24H23N3O6 and a molecular weight of 449.46 g/mol. Its IUPAC name is ethyl 2-(2,9,16,23-tetraoxo-1,10,13-triazatetracyclo[13.8.0.03,8.017,22]tricosa-3,5,7,17,19,21-hexaen-13-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,9,16,23-tetraoxo-1,10,13-triazatetracyclo[13.8.0.03,8.017,22]tricosa-3,5,7,17,19,21-hexaen-13-yl)acetate
PubChem CID19704511
Molecular FormulaC24H23N3O6
Molecular Weight449.46 g/mol
Exact Mass449.16
IUPAC Nameethyl 2-(2,9,16,23-tetraoxo-1,10,13-triazatetracyclo[13.8.0.03,8.017,22]tricosa-3,5,7,17,19,21-hexaen-13-yl)acetate
SMILESCCOC(=O)CN1CCNC(=O)c2ccccc2C(=O)N2C(=O)c3ccccc3C(=O)C2C1
InChIInChI=1S/C24H23N3O6/c1-2-33-20(28)14-26-12-11-25-22(30)16-8-4-6-10-18(16)24(32)27-19(13-26)21(29)15-7-3-5-9-17(15)23(27)31/h3-10,19H,2,11-14H2,1H3,(H,25,30)
InChIKeyQDSMDTHYXNDWFS-UHFFFAOYSA-N
XLogP1.14
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl 2-(2,9,16,23-tetraoxo-1,10,13-triazatetracyclo[13.8.0.03,8.017,22]tricosa-3,5,7,17,19,21-hexaen-13-yl)acetate 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

ethyl 2-(3-methylpiperazin-1-yl)acetate
CID 65450169
ethyl 2-[3-(1,3-dioxoisoindol-2-yl)-2-oxo-3,4,5,6-tetrahydro-1-benzazocin-1-yl]acetate
CID 13338741
ethyl 2-(1,3-dioxoinden-2-yl)acetate
CID 13130488
2-(1-propanoylpyrrolidin-3-yl)isoindole-1,3-dione
CID 113082746
benzyl 5-(1,3-dioxoisoindol-2-yl)-2-[4-(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoate
CID 143202833
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 2386855
ethyl 2-(3-ethylpyrrolidin-1-yl)acetate
CID 115688617
diethyl (6R,8S)-5,9-dioxo-7,8-dihydro-6H-benzo[7]annulene-6,8-dicarboxylate
CID 92522808
ethyl 2-(4-phenylpiperazin-1-yl)acetate
CID 3044259
ethyl 2-[4-benzyl-7,10-bis(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 14031656
diethyl (2R)-2-(1,3-dioxoisoindol-2-yl)cyclopropane-1,1-dicarboxylate
CID 169410251
ethyl 5-(1,3-dioxoisoindol-2-yl)-4-oxo(513C)pentanoate
CID 10924265

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,9,16,23-tetraoxo-1,10,13-triazatetracyclo[13.8.0.03,8.017,22]tricosa-3,5,7,17,19,21-hexaen-13-yl)acetate?
The IUPAC name of ethyl 2-(2,9,16,23-tetraoxo-1,10,13-triazatetracyclo[13.8.0.03,8.017,22]tricosa-3,5,7,17,19,21-hexaen-13-yl)acetate (CID 19704511) is ethyl 2-(2,9,16,23-tetraoxo-1,10,13-triazatetracyclo[13.8.0.03,8.017,22]tricosa-3,5,7,17,19,21-hexaen-13-yl)acetate.
What is the SMILES notation for ethyl 2-(2,9,16,23-tetraoxo-1,10,13-triazatetracyclo[13.8.0.03,8.017,22]tricosa-3,5,7,17,19,21-hexaen-13-yl)acetate?
The canonical SMILES for ethyl 2-(2,9,16,23-tetraoxo-1,10,13-triazatetracyclo[13.8.0.03,8.017,22]tricosa-3,5,7,17,19,21-hexaen-13-yl)acetate is CCOC(=O)CN1CCNC(=O)c2ccccc2C(=O)N2C(=O)c3ccccc3C(=O)C2C1.
What is the InChIKey of ethyl 2-(2,9,16,23-tetraoxo-1,10,13-triazatetracyclo[13.8.0.03,8.017,22]tricosa-3,5,7,17,19,21-hexaen-13-yl)acetate?
The InChIKey is QDSMDTHYXNDWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O6/c1-2-33-20(28)14-26-12-11-25-22(30)16-8-4-6-10-18(16)24(32)27-19(13-26)21(29)15-7-3-5-9-17(15)23(27)31/h3-10,19H,2,11-14H2,1H3,(H,25,30).
What are the key properties of ethyl 2-(2,9,16,23-tetraoxo-1,10,13-triazatetracyclo[13.8.0.03,8.017,22]tricosa-3,5,7,17,19,21-hexaen-13-yl)acetate?
ethyl 2-(2,9,16,23-tetraoxo-1,10,13-triazatetracyclo[13.8.0.03,8.017,22]tricosa-3,5,7,17,19,21-hexaen-13-yl)acetate has a molecular weight of 449.46 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,9,16,23-tetraoxo-1,10,13-triazatetracyclo[13.8.0.03,8.017,22]tricosa-3,5,7,17,19,21-hexaen-13-yl)acetate is sourced from PubChem (CID 19704511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).