methyl 3-[[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]benzoate

C25H23N3O4 — CID 46383578

IUPACmethyl 3-[[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)NC(C(=O)N2CCc3ccccc32)c2ccccc2)c1
InChIInChI=1S/C25H23N3O4/c1-32-24(30)19-11-7-12-20(16-19)26-25(31)27-22(18-9-3-2-4-10-18)23(29)28-15-14-17-8-5-6-13-21(17)28/h2-13,16,22H,14-15H2,1H3,(H2,26,27,31)
InChIKeyPWEUVYXMYXTXNU-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.93
Rot. Bonds5

About methyl 3-[[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]benzoate

methyl 3-[[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]benzoate (PubChem CID 46383578) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is methyl 3-[[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]benzoate
PubChem CID46383578
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Namemethyl 3-[[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)NC(C(=O)N2CCc3ccccc32)c2ccccc2)c1
InChIInChI=1S/C25H23N3O4/c1-32-24(30)19-11-7-12-20(16-19)26-25(31)27-22(18-9-3-2-4-10-18)23(29)28-15-14-17-8-5-6-13-21(17)28/h2-13,16,22H,14-15H2,1H3,(H2,26,27,31)
InChIKeyPWEUVYXMYXTXNU-UHFFFAOYSA-N
XLogP3.93
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]benzoate with MolForge

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Related Compounds

1-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)urea
CID 46383542
1-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(3,4-dimethylphenyl)urea
CID 46383540
methyl 2-[[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 92881687
1-(5-chloro-2-methoxyphenyl)-3-[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]urea
CID 92881593
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
N-[(1R)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-3-methoxybenzamide
CID 95091997
1-[(1R)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(3-methoxypropyl)urea
CID 92881634
1-benzyl-3-[(1R)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]urea
CID 92881630
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 8521044
1-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(2-phenylethyl)urea
CID 46383573
N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide
CID 26290520

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]benzoate?
The IUPAC name of methyl 3-[[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]benzoate (CID 46383578) is methyl 3-[[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]benzoate.
What is the SMILES notation for methyl 3-[[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]benzoate?
The canonical SMILES for methyl 3-[[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]benzoate is COC(=O)c1cccc(NC(=O)NC(C(=O)N2CCc3ccccc32)c2ccccc2)c1.
What is the InChIKey of methyl 3-[[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]benzoate?
The InChIKey is PWEUVYXMYXTXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-32-24(30)19-11-7-12-20(16-19)26-25(31)27-22(18-9-3-2-4-10-18)23(29)28-15-14-17-8-5-6-13-21(17)28/h2-13,16,22H,14-15H2,1H3,(H2,26,27,31).
What are the key properties of methyl 3-[[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]benzoate?
methyl 3-[[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]benzoate has a molecular weight of 429.48 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]benzoate is sourced from PubChem (CID 46383578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).