1-benzyl-3-[(1R)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]urea

C24H23N3O2 — CID 92881630

IUPAC1-benzyl-3-[(1R)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]urea
SMILESO=C(NCc1ccccc1)N[C@@H](C(=O)N1CCc2ccccc21)c1ccccc1
InChIInChI=1S/C24H23N3O2/c28-23(27-16-15-19-11-7-8-14-21(19)27)22(20-12-5-2-6-13-20)26-24(29)25-17-18-9-3-1-4-10-18/h1-14,22H,15-17H2,(H2,25,26,29)/t22-/m1/s1
InChIKeyZMBKCSCNWSYTAA-JOCHJYFZSA-N
MW385.47 g/mol
LogP3.82
Rot. Bonds5

About 1-benzyl-3-[(1R)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]urea

1-benzyl-3-[(1R)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]urea (PubChem CID 92881630) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-benzyl-3-[(1R)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[(1R)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]urea
PubChem CID92881630
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name1-benzyl-3-[(1R)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]urea
SMILESO=C(NCc1ccccc1)N[C@@H](C(=O)N1CCc2ccccc21)c1ccccc1
InChIInChI=1S/C24H23N3O2/c28-23(27-16-15-19-11-7-8-14-21(19)27)22(20-12-5-2-6-13-20)26-24(29)25-17-18-9-3-1-4-10-18/h1-14,22H,15-17H2,(H2,25,26,29)/t22-/m1/s1
InChIKeyZMBKCSCNWSYTAA-JOCHJYFZSA-N
XLogP3.82
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(2-phenylethyl)urea
CID 46383573
1-[(1R)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(3-methoxypropyl)urea
CID 92881634
1-benzyl-3-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]urea
CID 110354058
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-[(4-fluorophenyl)methyl]urea
CID 46383464
N-benzyl-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108508973
1-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(3,4-dimethylphenyl)urea
CID 46383540
1-[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(2,5-dimethylphenyl)urea
CID 92881589
ethyl 2-[4-[[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]phenyl]acetate
CID 92881627
1-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)urea
CID 46383542
N-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide
CID 53125901
N-[2-[[(1R)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide
CID 95091921
methyl 3-[[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]benzoate
CID 46383578

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(1R)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]urea?
The IUPAC name of 1-benzyl-3-[(1R)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]urea (CID 92881630) is 1-benzyl-3-[(1R)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]urea.
What is the SMILES notation for 1-benzyl-3-[(1R)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]urea?
The canonical SMILES for 1-benzyl-3-[(1R)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]urea is O=C(NCc1ccccc1)N[C@@H](C(=O)N1CCc2ccccc21)c1ccccc1.
What is the InChIKey of 1-benzyl-3-[(1R)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]urea?
The InChIKey is ZMBKCSCNWSYTAA-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H23N3O2/c28-23(27-16-15-19-11-7-8-14-21(19)27)22(20-12-5-2-6-13-20)26-24(29)25-17-18-9-3-1-4-10-18/h1-14,22H,15-17H2,(H2,25,26,29)/t22-/m1/s1.
What are the key properties of 1-benzyl-3-[(1R)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]urea?
1-benzyl-3-[(1R)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]urea has a molecular weight of 385.47 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(1R)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]urea is sourced from PubChem (CID 92881630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).