1-[2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]ethyl]-3-phenylurea

C17H17N3O2 — CID 31771075

IUPAC1-[2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]ethyl]-3-phenylurea
SMILESO=C(NCC[C@@H]1C(=O)Nc2ccccc21)Nc1ccccc1
InChIInChI=1S/C17H17N3O2/c21-16-14(13-8-4-5-9-15(13)20-16)10-11-18-17(22)19-12-6-2-1-3-7-12/h1-9,14H,10-11H2,(H,20,21)(H2,18,19,22)/t14-/m0/s1
InChIKeyDXJGVDTVNSDTRI-AWEZNQCLSA-N
MW295.34 g/mol
LogP2.93
Rot. Bonds4

About 1-[2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]ethyl]-3-phenylurea

1-[2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]ethyl]-3-phenylurea (PubChem CID 31771075) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-[2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]ethyl]-3-phenylurea
PubChem CID31771075
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name1-[2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]ethyl]-3-phenylurea
SMILESO=C(NCC[C@@H]1C(=O)Nc2ccccc21)Nc1ccccc1
InChIInChI=1S/C17H17N3O2/c21-16-14(13-8-4-5-9-15(13)20-16)10-11-18-17(22)19-12-6-2-1-3-7-12/h1-9,14H,10-11H2,(H,20,21)(H2,18,19,22)/t14-/m0/s1
InChIKeyDXJGVDTVNSDTRI-AWEZNQCLSA-N
XLogP2.93
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]urea
CID 110748774
1-(2-chloro-5-fluorophenyl)-3-[2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]ethyl]urea
CID 98139825
1-(2-chloro-5-fluorophenyl)-3-[2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]ethyl]urea
CID 95568579
N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-phenoxyacetamide
CID 110730204
1-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-phenylurea
CID 110748117
N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]cyclohexanecarboxamide
CID 110730173
4-chloro-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]benzamide
CID 110730209
3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid
CID 589482
N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110730198
N'-(5-methyl-3-pyridinyl)-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]oxamide
CID 167864550
3,5-dimethoxy-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]benzamide
CID 110730193
2-methoxy-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]benzamide
CID 110730190

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]ethyl]-3-phenylurea?
The IUPAC name of 1-[2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]ethyl]-3-phenylurea (CID 31771075) is 1-[2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]ethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]ethyl]-3-phenylurea?
The canonical SMILES for 1-[2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]ethyl]-3-phenylurea is O=C(NCC[C@@H]1C(=O)Nc2ccccc21)Nc1ccccc1.
What is the InChIKey of 1-[2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]ethyl]-3-phenylurea?
The InChIKey is DXJGVDTVNSDTRI-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H17N3O2/c21-16-14(13-8-4-5-9-15(13)20-16)10-11-18-17(22)19-12-6-2-1-3-7-12/h1-9,14H,10-11H2,(H,20,21)(H2,18,19,22)/t14-/m0/s1.
What are the key properties of 1-[2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]ethyl]-3-phenylurea?
1-[2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]ethyl]-3-phenylurea has a molecular weight of 295.34 g/mol, XLogP of 2.93, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]ethyl]-3-phenylurea is sourced from PubChem (CID 31771075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).