1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(2-methoxyphenyl)urea

C18H19N3O3 — CID 46383478

IUPAC1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NCC(=O)N1CCc2ccccc21
InChIInChI=1S/C18H19N3O3/c1-24-16-9-5-3-7-14(16)20-18(23)19-12-17(22)21-11-10-13-6-2-4-8-15(13)21/h2-9H,10-12H2,1H3,(H2,19,20,23)
InChIKeyWVTOOWVQKHLBMS-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.41
Rot. Bonds4

About 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(2-methoxyphenyl)urea

1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(2-methoxyphenyl)urea (PubChem CID 46383478) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(2-methoxyphenyl)urea
PubChem CID46383478
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NCC(=O)N1CCc2ccccc21
InChIInChI=1S/C18H19N3O3/c1-24-16-9-5-3-7-14(16)20-18(23)19-12-17(22)21-11-10-13-6-2-4-8-15(13)21/h2-9H,10-12H2,1H3,(H2,19,20,23)
InChIKeyWVTOOWVQKHLBMS-UHFFFAOYSA-N
XLogP2.41
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-(2-methoxyanilino)ethanone
CID 9080490
1-[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea
CID 50825387
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methoxyphenyl)urea
CID 46383419
1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methoxyphenyl)urea
CID 92881442
1-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]-3-(2-methoxyphenyl)urea
CID 38887344
2-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111810993
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(3-methoxypropyl)urea
CID 46383502
1-tert-butyl-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]urea
CID 46383527
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide
CID 47413298
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 110370754
2-(2-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 54827804
methyl 3-(2,3-dihydroindol-1-yl)-3-oxopropanoate
CID 8990559

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(2-methoxyphenyl)urea (CID 46383478) is 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)NCC(=O)N1CCc2ccccc21.
What is the InChIKey of 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(2-methoxyphenyl)urea?
The InChIKey is WVTOOWVQKHLBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-24-16-9-5-3-7-14(16)20-18(23)19-12-17(22)21-11-10-13-6-2-4-8-15(13)21/h2-9H,10-12H2,1H3,(H2,19,20,23).
What are the key properties of 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(2-methoxyphenyl)urea?
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(2-methoxyphenyl)urea has a molecular weight of 325.37 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 46383478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).