1-[2-(4-ethoxybenzoyl)-1,3-dioxoinden-4-yl]-3-morpholin-4-ylurea

C23H23N3O6 — CID 70793127

IUPAC1-[2-(4-ethoxybenzoyl)-1,3-dioxoinden-4-yl]-3-morpholin-4-ylurea
SMILESCCOc1ccc(C(=O)C2C(=O)c3cccc(NC(=O)NN4CCOCC4)c3C2=O)cc1
InChIInChI=1S/C23H23N3O6/c1-2-32-15-8-6-14(7-9-15)20(27)19-21(28)16-4-3-5-17(18(16)22(19)29)24-23(30)25-26-10-12-31-13-11-26/h3-9,19H,2,10-13H2,1H3,(H2,24,25,30)
InChIKeyKOMJQPGQJQDHIK-UHFFFAOYSA-N
MW437.45 g/mol
LogP2.33
Rot. Bonds6

About 1-[2-(4-ethoxybenzoyl)-1,3-dioxoinden-4-yl]-3-morpholin-4-ylurea

1-[2-(4-ethoxybenzoyl)-1,3-dioxoinden-4-yl]-3-morpholin-4-ylurea (PubChem CID 70793127) has the molecular formula C23H23N3O6 and a molecular weight of 437.45 g/mol. Its IUPAC name is 1-[2-(4-ethoxybenzoyl)-1,3-dioxoinden-4-yl]-3-morpholin-4-ylurea.

Molecular Properties

Compound Name1-[2-(4-ethoxybenzoyl)-1,3-dioxoinden-4-yl]-3-morpholin-4-ylurea
PubChem CID70793127
Molecular FormulaC23H23N3O6
Molecular Weight437.45 g/mol
Exact Mass437.16
IUPAC Name1-[2-(4-ethoxybenzoyl)-1,3-dioxoinden-4-yl]-3-morpholin-4-ylurea
SMILESCCOc1ccc(C(=O)C2C(=O)c3cccc(NC(=O)NN4CCOCC4)c3C2=O)cc1
InChIInChI=1S/C23H23N3O6/c1-2-32-15-8-6-14(7-9-15)20(27)19-21(28)16-4-3-5-17(18(16)22(19)29)24-23(30)25-26-10-12-31-13-11-26/h3-9,19H,2,10-13H2,1H3,(H2,24,25,30)
InChIKeyKOMJQPGQJQDHIK-UHFFFAOYSA-N
XLogP2.33
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[4-[(2S)-4-(morpholin-4-ylcarbamoylamino)-1,3-dioxoindene-2-carbonyl]phenoxy]acetate
CID 143160800
N-[(2S)-2-(4-methoxybenzoyl)-1,3-dioxoinden-4-yl]acetamide
CID 98061288
N-[1,3-dioxo-2-(4-phenoxybenzoyl)inden-4-yl]acetamide
CID 11133104
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
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
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
CID 157266771
CID 157266771
2-(morpholin-4-ylcarbamoylamino)benzoic acid
CID 83020338
ethyl 4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carboxylate
CID 70157024
4-ethoxy-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 27258304
N-(9,10-dioxoanthracen-1-yl)-2-[4-(morpholine-4-carbonyl)phenoxy]acetamide
CID 18837778

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxybenzoyl)-1,3-dioxoinden-4-yl]-3-morpholin-4-ylurea?
The IUPAC name of 1-[2-(4-ethoxybenzoyl)-1,3-dioxoinden-4-yl]-3-morpholin-4-ylurea (CID 70793127) is 1-[2-(4-ethoxybenzoyl)-1,3-dioxoinden-4-yl]-3-morpholin-4-ylurea.
What is the SMILES notation for 1-[2-(4-ethoxybenzoyl)-1,3-dioxoinden-4-yl]-3-morpholin-4-ylurea?
The canonical SMILES for 1-[2-(4-ethoxybenzoyl)-1,3-dioxoinden-4-yl]-3-morpholin-4-ylurea is CCOc1ccc(C(=O)C2C(=O)c3cccc(NC(=O)NN4CCOCC4)c3C2=O)cc1.
What is the InChIKey of 1-[2-(4-ethoxybenzoyl)-1,3-dioxoinden-4-yl]-3-morpholin-4-ylurea?
The InChIKey is KOMJQPGQJQDHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O6/c1-2-32-15-8-6-14(7-9-15)20(27)19-21(28)16-4-3-5-17(18(16)22(19)29)24-23(30)25-26-10-12-31-13-11-26/h3-9,19H,2,10-13H2,1H3,(H2,24,25,30).
What are the key properties of 1-[2-(4-ethoxybenzoyl)-1,3-dioxoinden-4-yl]-3-morpholin-4-ylurea?
1-[2-(4-ethoxybenzoyl)-1,3-dioxoinden-4-yl]-3-morpholin-4-ylurea has a molecular weight of 437.45 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxybenzoyl)-1,3-dioxoinden-4-yl]-3-morpholin-4-ylurea is sourced from PubChem (CID 70793127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).