1-[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(2,5-dimethylphenyl)urea

C25H25N3O2 — CID 92881589

IUPAC1-[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(2,5-dimethylphenyl)urea
SMILESCc1ccc(C)c(NC(=O)N[C@H](C(=O)N2CCc3ccccc32)c2ccccc2)c1
InChIInChI=1S/C25H25N3O2/c1-17-12-13-18(2)21(16-17)26-25(30)27-23(20-9-4-3-5-10-20)24(29)28-15-14-19-8-6-7-11-22(19)28/h3-13,16,23H,14-15H2,1-2H3,(H2,26,27,30)/t23-/m0/s1
InChIKeyIBDVOVDXMFLCSL-QHCPKHFHSA-N
MW399.49 g/mol
LogP4.76
Rot. Bonds4

About 1-[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(2,5-dimethylphenyl)urea

1-[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(2,5-dimethylphenyl)urea (PubChem CID 92881589) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 1-[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(2,5-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(2,5-dimethylphenyl)urea
PubChem CID92881589
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name1-[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(2,5-dimethylphenyl)urea
SMILESCc1ccc(C)c(NC(=O)N[C@H](C(=O)N2CCc3ccccc32)c2ccccc2)c1
InChIInChI=1S/C25H25N3O2/c1-17-12-13-18(2)21(16-17)26-25(30)27-23(20-9-4-3-5-10-20)24(29)28-15-14-19-8-6-7-11-22(19)28/h3-13,16,23H,14-15H2,1-2H3,(H2,26,27,30)/t23-/m0/s1
InChIKeyIBDVOVDXMFLCSL-QHCPKHFHSA-N
XLogP4.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.76
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-(3,4-dimethylphenyl)urea
CID 46383540
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-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)urea
CID 46383542
methyl 3-[[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]benzoate
CID 46383578
1-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methylphenyl)urea
CID 92881468
1-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(2-phenylethyl)urea
CID 46383573
1-benzyl-3-[(1R)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]urea
CID 92881630
1-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]-3-(2-methoxy-5-methylphenyl)urea
CID 92881400
1-[(1R)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(3-methoxypropyl)urea
CID 92881634
ethyl 2-[4-[[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]phenyl]acetate
CID 92881627
methyl 2-[[1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]carbamoylamino]-4-methylbenzoate
CID 46383418

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(2,5-dimethylphenyl)urea?
The IUPAC name of 1-[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(2,5-dimethylphenyl)urea (CID 92881589) is 1-[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(2,5-dimethylphenyl)urea.
What is the SMILES notation for 1-[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(2,5-dimethylphenyl)urea?
The canonical SMILES for 1-[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(2,5-dimethylphenyl)urea is Cc1ccc(C)c(NC(=O)N[C@H](C(=O)N2CCc3ccccc32)c2ccccc2)c1.
What is the InChIKey of 1-[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(2,5-dimethylphenyl)urea?
The InChIKey is IBDVOVDXMFLCSL-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-17-12-13-18(2)21(16-17)26-25(30)27-23(20-9-4-3-5-10-20)24(29)28-15-14-19-8-6-7-11-22(19)28/h3-13,16,23H,14-15H2,1-2H3,(H2,26,27,30)/t23-/m0/s1.
What are the key properties of 1-[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(2,5-dimethylphenyl)urea?
1-[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(2,5-dimethylphenyl)urea has a molecular weight of 399.49 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(2,5-dimethylphenyl)urea is sourced from PubChem (CID 92881589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).