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

C19H21N3O3 — CID 92881442

IUPAC1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)N[C@@H](C)C(=O)N1CCc2ccccc21
InChIInChI=1S/C19H21N3O3/c1-13(18(23)22-12-11-14-7-3-5-9-16(14)22)20-19(24)21-15-8-4-6-10-17(15)25-2/h3-10,13H,11-12H2,1-2H3,(H2,20,21,24)/t13-/m0/s1
InChIKeyLJFRUMSEGKHNQS-ZDUSSCGKSA-N
MW339.40 g/mol
LogP2.79
Rot. Bonds4

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

1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methoxyphenyl)urea (PubChem CID 92881442) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methoxyphenyl)urea
PubChem CID92881442
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)N[C@@H](C)C(=O)N1CCc2ccccc21
InChIInChI=1S/C19H21N3O3/c1-13(18(23)22-12-11-14-7-3-5-9-16(14)22)20-19(24)21-15-8-4-6-10-17(15)25-2/h3-10,13H,11-12H2,1-2H3,(H2,20,21,24)/t13-/m0/s1
InChIKeyLJFRUMSEGKHNQS-ZDUSSCGKSA-N
XLogP2.79
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methoxyphenyl)urea
CID 46383419
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2,5-dimethoxyphenyl)urea
CID 46383430
1-(5-chloro-2-methoxyphenyl)-3-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]urea
CID 92881462
1-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methylphenyl)urea
CID 92881468
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2,3-dimethylphenyl)urea
CID 46383423
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methylurea
CID 46383472
1-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]-3-(2-methoxy-5-methylphenyl)urea
CID 92881400
1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2,4-dimethylphenyl)urea
CID 92881495
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(2-methoxyphenyl)urea
CID 46383478
1-(5-chloro-2-methoxyphenyl)-3-[1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]urea
CID 46383367
1-[(2R)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]-3-(2,4-dimethoxyphenyl)urea
CID 92881391
N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
CID 29405685

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methoxyphenyl)urea (CID 92881442) is 1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)N[C@@H](C)C(=O)N1CCc2ccccc21.
What is the InChIKey of 1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methoxyphenyl)urea?
The InChIKey is LJFRUMSEGKHNQS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13(18(23)22-12-11-14-7-3-5-9-16(14)22)20-19(24)21-15-8-4-6-10-17(15)25-2/h3-10,13H,11-12H2,1-2H3,(H2,20,21,24)/t13-/m0/s1.
What are the key properties of 1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methoxyphenyl)urea?
1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methoxyphenyl)urea has a molecular weight of 339.40 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 92881442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).