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

C21H25N3O3 — CID 92881634

IUPAC1-[(1R)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(3-methoxypropyl)urea
SMILESCOCCCNC(=O)N[C@@H](C(=O)N1CCc2ccccc21)c1ccccc1
InChIInChI=1S/C21H25N3O3/c1-27-15-7-13-22-21(26)23-19(17-9-3-2-4-10-17)20(25)24-14-12-16-8-5-6-11-18(16)24/h2-6,8-11,19H,7,12-15H2,1H3,(H2,22,23,26)/t19-/m1/s1
InChIKeyZMCKJQLEESSWEC-LJQANCHMSA-N
MW367.45 g/mol
LogP2.65
Rot. Bonds7

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

1-[(1R)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(3-methoxypropyl)urea (PubChem CID 92881634) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-[(1R)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(3-methoxypropyl)urea.

Molecular Properties

Compound Name1-[(1R)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(3-methoxypropyl)urea
PubChem CID92881634
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name1-[(1R)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(3-methoxypropyl)urea
SMILESCOCCCNC(=O)N[C@@H](C(=O)N1CCc2ccccc21)c1ccccc1
InChIInChI=1S/C21H25N3O3/c1-27-15-7-13-22-21(26)23-19(17-9-3-2-4-10-17)20(25)24-14-12-16-8-5-6-11-18(16)24/h2-6,8-11,19H,7,12-15H2,1H3,(H2,22,23,26)/t19-/m1/s1
InChIKeyZMCKJQLEESSWEC-LJQANCHMSA-N
XLogP2.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(3-methoxypropyl)urea
CID 46383502
1-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(3,4-dimethylphenyl)urea
CID 46383540
1-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)urea
CID 46383542
1-[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(2,5-dimethylphenyl)urea
CID 92881589
methyl 3-[[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]benzoate
CID 46383578
1-(5-chloro-2-methoxyphenyl)-3-[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]urea
CID 92881593
2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide
CID 51260991
2-(2,3-dihydroindole-1-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide
CID 109133165
N-(2-methoxyethyl)-2,3-dihydroindole-1-carboxamide
CID 47193672
ethyl 2-[4-[[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]phenyl]acetate
CID 92881627

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(3-methoxypropyl)urea?
The IUPAC name of 1-[(1R)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(3-methoxypropyl)urea (CID 92881634) is 1-[(1R)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(3-methoxypropyl)urea.
What is the SMILES notation for 1-[(1R)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(3-methoxypropyl)urea?
The canonical SMILES for 1-[(1R)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(3-methoxypropyl)urea is COCCCNC(=O)N[C@@H](C(=O)N1CCc2ccccc21)c1ccccc1.
What is the InChIKey of 1-[(1R)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(3-methoxypropyl)urea?
The InChIKey is ZMCKJQLEESSWEC-LJQANCHMSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-27-15-7-13-22-21(26)23-19(17-9-3-2-4-10-17)20(25)24-14-12-16-8-5-6-11-18(16)24/h2-6,8-11,19H,7,12-15H2,1H3,(H2,22,23,26)/t19-/m1/s1.
What are the key properties of 1-[(1R)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(3-methoxypropyl)urea?
1-[(1R)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(3-methoxypropyl)urea has a molecular weight of 367.45 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(3-methoxypropyl)urea is sourced from PubChem (CID 92881634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).