1-cyclohexyl-3-[1-(2,2-diethoxyethyl)-2-oxo-3H-indol-3-yl]urea

C21H31N3O4 — CID 22013048

IUPAC1-cyclohexyl-3-[1-(2,2-diethoxyethyl)-2-oxo-3H-indol-3-yl]urea
SMILESCCOC(CN1C(=O)C(NC(=O)NC2CCCCC2)c2ccccc21)OCC
InChIInChI=1S/C21H31N3O4/c1-3-27-18(28-4-2)14-24-17-13-9-8-12-16(17)19(20(24)25)23-21(26)22-15-10-6-5-7-11-15/h8-9,12-13,15,18-19H,3-7,10-11,14H2,1-2H3,(H2,22,23,26)
InChIKeyWEXVHHGVMCRYKJ-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.11
Rot. Bonds8

About 1-cyclohexyl-3-[1-(2,2-diethoxyethyl)-2-oxo-3H-indol-3-yl]urea

1-cyclohexyl-3-[1-(2,2-diethoxyethyl)-2-oxo-3H-indol-3-yl]urea (PubChem CID 22013048) has the molecular formula C21H31N3O4 and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-cyclohexyl-3-[1-(2,2-diethoxyethyl)-2-oxo-3H-indol-3-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[1-(2,2-diethoxyethyl)-2-oxo-3H-indol-3-yl]urea
PubChem CID22013048
Molecular FormulaC21H31N3O4
Molecular Weight389.50 g/mol
Exact Mass389.23
IUPAC Name1-cyclohexyl-3-[1-(2,2-diethoxyethyl)-2-oxo-3H-indol-3-yl]urea
SMILESCCOC(CN1C(=O)C(NC(=O)NC2CCCCC2)c2ccccc21)OCC
InChIInChI=1S/C21H31N3O4/c1-3-27-18(28-4-2)14-24-17-13-9-8-12-16(17)19(20(24)25)23-21(26)22-15-10-6-5-7-11-15/h8-9,12-13,15,18-19H,3-7,10-11,14H2,1-2H3,(H2,22,23,26)
InChIKeyWEXVHHGVMCRYKJ-UHFFFAOYSA-N
XLogP3.11
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[1-(2,2-diethoxyethyl)-2-oxo-3H-indol-3-yl]-3-phenylurea
CID 22013041
1-(4-chlorophenyl)-3-[1-(2,2-diethoxyethyl)-2-oxo-3H-indol-3-yl]urea
CID 22012987
N-cyclopentyl-N'-[(3R)-1-ethyl-2-oxo-3H-indol-3-yl]oxamide
CID 41024763
1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3-[1-(2,2-diethoxyethyl)-2-oxo-3H-indol-3-yl]urea
CID 22731798
2-(3-amino-2-oxo-3H-indol-1-yl)-N-cyclohexylacetamide
CID 43255031
N-[(3S)-1-benzyl-2-oxo-3H-indol-3-yl]acetamide
CID 720059
N-cyclohexyl-2-ethoxypropanamide
CID 137320539
N-[(3S)-1-[2-(2-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide
CID 7447200
N-[(3R)-1-[3-(4-methylphenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178364
N-[(3S)-1-(cyanomethyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9178326
1-(2,2-diethoxyethyl)-2,3-dihydroquinolin-4-one
CID 114459505
N-cyclohexyl-2-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]acetamide
CID 1216809

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[1-(2,2-diethoxyethyl)-2-oxo-3H-indol-3-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[1-(2,2-diethoxyethyl)-2-oxo-3H-indol-3-yl]urea (CID 22013048) is 1-cyclohexyl-3-[1-(2,2-diethoxyethyl)-2-oxo-3H-indol-3-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[1-(2,2-diethoxyethyl)-2-oxo-3H-indol-3-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[1-(2,2-diethoxyethyl)-2-oxo-3H-indol-3-yl]urea is CCOC(CN1C(=O)C(NC(=O)NC2CCCCC2)c2ccccc21)OCC.
What is the InChIKey of 1-cyclohexyl-3-[1-(2,2-diethoxyethyl)-2-oxo-3H-indol-3-yl]urea?
The InChIKey is WEXVHHGVMCRYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O4/c1-3-27-18(28-4-2)14-24-17-13-9-8-12-16(17)19(20(24)25)23-21(26)22-15-10-6-5-7-11-15/h8-9,12-13,15,18-19H,3-7,10-11,14H2,1-2H3,(H2,22,23,26).
What are the key properties of 1-cyclohexyl-3-[1-(2,2-diethoxyethyl)-2-oxo-3H-indol-3-yl]urea?
1-cyclohexyl-3-[1-(2,2-diethoxyethyl)-2-oxo-3H-indol-3-yl]urea has a molecular weight of 389.50 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[1-(2,2-diethoxyethyl)-2-oxo-3H-indol-3-yl]urea is sourced from PubChem (CID 22013048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).