ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[(9-oxophenalen-1-yl)amino]ethyl]amino]acetate

C23H26N2O5 — CID 129048860

IUPACethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[(9-oxophenalen-1-yl)amino]ethyl]amino]acetate
SMILESCCOC(=O)CN(CCNc1ccc2cccc3c2c1C(=O)C=C3)CC(=O)OCC
InChIInChI=1S/C23H26N2O5/c1-3-29-20(27)14-25(15-21(28)30-4-2)13-12-24-18-10-8-16-6-5-7-17-9-11-19(26)23(18)22(16)17/h5-11,24H,3-4,12-15H2,1-2H3
InChIKeyHJZWFJZRBFFIBL-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.89
Rot. Bonds10

About ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[(9-oxophenalen-1-yl)amino]ethyl]amino]acetate

ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[(9-oxophenalen-1-yl)amino]ethyl]amino]acetate (PubChem CID 129048860) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[(9-oxophenalen-1-yl)amino]ethyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[(9-oxophenalen-1-yl)amino]ethyl]amino]acetate
PubChem CID129048860
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Nameethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[(9-oxophenalen-1-yl)amino]ethyl]amino]acetate
SMILESCCOC(=O)CN(CCNc1ccc2cccc3c2c1C(=O)C=C3)CC(=O)OCC
InChIInChI=1S/C23H26N2O5/c1-3-29-20(27)14-25(15-21(28)30-4-2)13-12-24-18-10-8-16-6-5-7-17-9-11-19(26)23(18)22(16)17/h5-11,24H,3-4,12-15H2,1-2H3
InChIKeyHJZWFJZRBFFIBL-UHFFFAOYSA-N
XLogP2.89
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[(9-oxophenalen-1-yl)amino]ethyl]amino]acetate with MolForge

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Related Compounds

Ethyl 2-{4-[2-(naphthalene-1-amido)-4-phenylphenyl]piperazin-1-yl}acetate
CID 11511564
N-(2-methoxyethyl)-2-(2-oxobenzo[cd]indol-1(2H)-yl)acetamide
CID 3153424
Anthracenedione diacetate
CID 6917684
Reactive Blue 247
CID 72941647
1,5-Bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione
CID 331140
1,4-Bis[2-[2-hydroxyethyl(methyl)amino]ethylamino]anthracene-9,10-dione
CID 11154907
1-[2-[2-Hydroxyethyl(methyl)amino]ethylamino]anthracene-9,10-dione
CID 11404554
{3-[(Naphthalene-2-carbonyl)-amino]-2-oxo-2,3,4,5-tetrahydro-benzo[b]azepin-1-yl}-acetic acid tert-butyl ester
CID 14590302
tert-butyl 2-[(3R)-3-(naphthalene-2-carbonylamino)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetate
CID 14590303
9-[2-(Dimethylamino)ethylamino]phenalen-1-one
CID 140936622
1-Methyl-4-morpholin-4-ylanthracene-9,10-dione
CID 3544983
2-Hydroxyethyl-[2-[[4-[2-(2-hydroxyethylazaniumyl)ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethyl]azanium diacetate
CID 51150

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[(9-oxophenalen-1-yl)amino]ethyl]amino]acetate?
The IUPAC name of ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[(9-oxophenalen-1-yl)amino]ethyl]amino]acetate (CID 129048860) is ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[(9-oxophenalen-1-yl)amino]ethyl]amino]acetate.
What is the SMILES notation for ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[(9-oxophenalen-1-yl)amino]ethyl]amino]acetate?
The canonical SMILES for ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[(9-oxophenalen-1-yl)amino]ethyl]amino]acetate is CCOC(=O)CN(CCNc1ccc2cccc3c2c1C(=O)C=C3)CC(=O)OCC.
What is the InChIKey of ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[(9-oxophenalen-1-yl)amino]ethyl]amino]acetate?
The InChIKey is HJZWFJZRBFFIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-3-29-20(27)14-25(15-21(28)30-4-2)13-12-24-18-10-8-16-6-5-7-17-9-11-19(26)23(18)22(16)17/h5-11,24H,3-4,12-15H2,1-2H3.
What are the key properties of ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[(9-oxophenalen-1-yl)amino]ethyl]amino]acetate?
ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[(9-oxophenalen-1-yl)amino]ethyl]amino]acetate has a molecular weight of 410.47 g/mol, XLogP of 2.89, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[(9-oxophenalen-1-yl)amino]ethyl]amino]acetate is sourced from PubChem (CID 129048860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).