ethyl 2-[4-[(2S)-4-(morpholin-4-ylcarbamoylamino)-1,3-dioxoindene-2-carbonyl]phenoxy]acetate

C25H25N3O8 — CID 143160800

IUPACethyl 2-[4-[(2S)-4-(morpholin-4-ylcarbamoylamino)-1,3-dioxoindene-2-carbonyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(C(=O)[C@H]2C(=O)c3cccc(NC(=O)NN4CCOCC4)c3C2=O)cc1
InChIInChI=1S/C25H25N3O8/c1-2-35-19(29)14-36-16-8-6-15(7-9-16)22(30)21-23(31)17-4-3-5-18(20(17)24(21)32)26-25(33)27-28-10-12-34-13-11-28/h3-9,21H,2,10-14H2,1H3,(H2,26,27,33)/t21-/m0/s1
InChIKeyDCQBVDPIEHABRO-NRFANRHFSA-N
MW495.49 g/mol
LogP1.88
Rot. Bonds8

About ethyl 2-[4-[(2S)-4-(morpholin-4-ylcarbamoylamino)-1,3-dioxoindene-2-carbonyl]phenoxy]acetate

ethyl 2-[4-[(2S)-4-(morpholin-4-ylcarbamoylamino)-1,3-dioxoindene-2-carbonyl]phenoxy]acetate (PubChem CID 143160800) has the molecular formula C25H25N3O8 and a molecular weight of 495.49 g/mol. Its IUPAC name is ethyl 2-[4-[(2S)-4-(morpholin-4-ylcarbamoylamino)-1,3-dioxoindene-2-carbonyl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(2S)-4-(morpholin-4-ylcarbamoylamino)-1,3-dioxoindene-2-carbonyl]phenoxy]acetate
PubChem CID143160800
Molecular FormulaC25H25N3O8
Molecular Weight495.49 g/mol
Exact Mass495.16
IUPAC Nameethyl 2-[4-[(2S)-4-(morpholin-4-ylcarbamoylamino)-1,3-dioxoindene-2-carbonyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(C(=O)[C@H]2C(=O)c3cccc(NC(=O)NN4CCOCC4)c3C2=O)cc1
InChIInChI=1S/C25H25N3O8/c1-2-35-19(29)14-36-16-8-6-15(7-9-16)22(30)21-23(31)17-4-3-5-18(20(17)24(21)32)26-25(33)27-28-10-12-34-13-11-28/h3-9,21H,2,10-14H2,1H3,(H2,26,27,33)/t21-/m0/s1
InChIKeyDCQBVDPIEHABRO-NRFANRHFSA-N
XLogP1.88
TPSA140.34 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.49
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze ethyl 2-[4-[(2S)-4-(morpholin-4-ylcarbamoylamino)-1,3-dioxoindene-2-carbonyl]phenoxy]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

1-[2-(4-ethoxybenzoyl)-1,3-dioxoinden-4-yl]-3-morpholin-4-ylurea
CID 70793127
CID 157266771
CID 157266771
4-amino-2-(4-hydroxybenzoyl)indene-1,3-dione;1-[2-ethyl-3-(4-hydroxyphenyl)-4-oxoindeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea;1-[2-(4-hydroxybenzoyl)-1,3-dioxoinden-4-yl]-3-morpholin-4-ylurea;1-[3-(4-hydroxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-3-morpholin-4-ylurea;4-nitro-2-(4-phenylmethoxybenzoyl)indene-1,3-dione
CID 158931388
N-[(2S)-2-(4-methoxybenzoyl)-1,3-dioxoinden-4-yl]acetamide
CID 98061288
1-morpholin-4-yl-3-[4-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1H-indeno[2,1-d]pyrazol-5-yl]urea
CID 11329770
1-[3-[4-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]phenyl]-4-oxo-3a,8b-dihydro-1H-indeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea
CID 143160795
2-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-1H-indeno[2,1-d]pyrazol-3-yl]phenoxy]-N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 58741117
N-(9,10-dioxoanthracen-1-yl)-2-[4-(morpholine-4-carbonyl)phenoxy]acetamide
CID 18837778
1-[3-[4-[6-hydroxy-4-(2-hydroxyethyl)-3-methylidenehexoxy]phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-3-morpholin-4-ylurea
CID 143160799
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 16534709
2-(3,4-dimethylphenoxy)-N-morpholin-4-ylacetamide
CID 17443595
2-(morpholin-4-ylcarbamoylamino)benzoic acid
CID 83020338

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(2S)-4-(morpholin-4-ylcarbamoylamino)-1,3-dioxoindene-2-carbonyl]phenoxy]acetate?
The IUPAC name of ethyl 2-[4-[(2S)-4-(morpholin-4-ylcarbamoylamino)-1,3-dioxoindene-2-carbonyl]phenoxy]acetate (CID 143160800) is ethyl 2-[4-[(2S)-4-(morpholin-4-ylcarbamoylamino)-1,3-dioxoindene-2-carbonyl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-[(2S)-4-(morpholin-4-ylcarbamoylamino)-1,3-dioxoindene-2-carbonyl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-[(2S)-4-(morpholin-4-ylcarbamoylamino)-1,3-dioxoindene-2-carbonyl]phenoxy]acetate is CCOC(=O)COc1ccc(C(=O)[C@H]2C(=O)c3cccc(NC(=O)NN4CCOCC4)c3C2=O)cc1.
What is the InChIKey of ethyl 2-[4-[(2S)-4-(morpholin-4-ylcarbamoylamino)-1,3-dioxoindene-2-carbonyl]phenoxy]acetate?
The InChIKey is DCQBVDPIEHABRO-NRFANRHFSA-N. The full InChI is InChI=1S/C25H25N3O8/c1-2-35-19(29)14-36-16-8-6-15(7-9-16)22(30)21-23(31)17-4-3-5-18(20(17)24(21)32)26-25(33)27-28-10-12-34-13-11-28/h3-9,21H,2,10-14H2,1H3,(H2,26,27,33)/t21-/m0/s1.
What are the key properties of ethyl 2-[4-[(2S)-4-(morpholin-4-ylcarbamoylamino)-1,3-dioxoindene-2-carbonyl]phenoxy]acetate?
ethyl 2-[4-[(2S)-4-(morpholin-4-ylcarbamoylamino)-1,3-dioxoindene-2-carbonyl]phenoxy]acetate has a molecular weight of 495.49 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(2S)-4-(morpholin-4-ylcarbamoylamino)-1,3-dioxoindene-2-carbonyl]phenoxy]acetate is sourced from PubChem (CID 143160800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).