1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2,5-dimethoxyphenyl)urea

C20H23N3O4 — CID 46383430

IUPAC1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2,5-dimethoxyphenyl)urea
SMILESCOc1ccc(OC)c(NC(=O)NC(C)C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C20H23N3O4/c1-13(19(24)23-11-10-14-6-4-5-7-17(14)23)21-20(25)22-16-12-15(26-2)8-9-18(16)27-3/h4-9,12-13H,10-11H2,1-3H3,(H2,21,22,25)
InChIKeyQNNPWPFRRJNMHY-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.80
Rot. Bonds5

About 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2,5-dimethoxyphenyl)urea

1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2,5-dimethoxyphenyl)urea (PubChem CID 46383430) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2,5-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2,5-dimethoxyphenyl)urea
PubChem CID46383430
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2,5-dimethoxyphenyl)urea
SMILESCOc1ccc(OC)c(NC(=O)NC(C)C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C20H23N3O4/c1-13(19(24)23-11-10-14-6-4-5-7-17(14)23)21-20(25)22-16-12-15(26-2)8-9-18(16)27-3/h4-9,12-13H,10-11H2,1-3H3,(H2,21,22,25)
InChIKeyQNNPWPFRRJNMHY-UHFFFAOYSA-N
XLogP2.80
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]urea
CID 92881462
1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methoxyphenyl)urea
CID 92881442
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methoxyphenyl)urea
CID 46383419
1-[(2R)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]-3-(2,4-dimethoxyphenyl)urea
CID 92881391
1-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]-3-(2-methoxy-5-methylphenyl)urea
CID 92881400
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)-1-oxopropan-2-yl]-3-(2-methylphenyl)urea
CID 92881468
1-(5-chloro-2-methoxyphenyl)-3-[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]urea
CID 92881593
1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2,4-dimethylphenyl)urea
CID 92881495
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
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-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2,5-dimethoxyphenyl)urea?
The IUPAC name of 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2,5-dimethoxyphenyl)urea (CID 46383430) is 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2,5-dimethoxyphenyl)urea.
What is the SMILES notation for 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2,5-dimethoxyphenyl)urea?
The canonical SMILES for 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2,5-dimethoxyphenyl)urea is COc1ccc(OC)c(NC(=O)NC(C)C(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2,5-dimethoxyphenyl)urea?
The InChIKey is QNNPWPFRRJNMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-13(19(24)23-11-10-14-6-4-5-7-17(14)23)21-20(25)22-16-12-15(26-2)8-9-18(16)27-3/h4-9,12-13H,10-11H2,1-3H3,(H2,21,22,25).
What are the key properties of 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2,5-dimethoxyphenyl)urea?
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2,5-dimethoxyphenyl)urea has a molecular weight of 369.42 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2,5-dimethoxyphenyl)urea is sourced from PubChem (CID 46383430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).