1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methylpropyl)urea

C16H23N3O2 — CID 92881544

IUPAC1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)N[C@@H](C)C(=O)N1CCc2ccccc21
InChIInChI=1S/C16H23N3O2/c1-11(2)10-17-16(21)18-12(3)15(20)19-9-8-13-6-4-5-7-14(13)19/h4-7,11-12H,8-10H2,1-3H3,(H2,17,18,21)/t12-/m0/s1
InChIKeyOKLWKCIEEPMIOD-LBPRGKRZSA-N
MW289.38 g/mol
LogP1.92
Rot. Bonds4

About 1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methylpropyl)urea

1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methylpropyl)urea (PubChem CID 92881544) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methylpropyl)urea
PubChem CID92881544
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)N[C@@H](C)C(=O)N1CCc2ccccc21
InChIInChI=1S/C16H23N3O2/c1-11(2)10-17-16(21)18-12(3)15(20)19-9-8-13-6-4-5-7-14(13)19/h4-7,11-12H,8-10H2,1-3H3,(H2,17,18,21)/t12-/m0/s1
InChIKeyOKLWKCIEEPMIOD-LBPRGKRZSA-N
XLogP1.92
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methylpropyl)urea with MolForge

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Related Compounds

1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-ethylurea
CID 46383476
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(3-methylbutyl)urea
CID 46383468
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methylurea
CID 46383472
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-[(4-fluorophenyl)methyl]urea
CID 46383464
ethyl 2-[[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamoylamino]acetate
CID 92881497
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(furan-2-ylmethyl)urea
CID 46383463
N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2-ethylbutanamide
CID 110348089
ethyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate
CID 110348137
1-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methylphenyl)urea
CID 92881468
1-[1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]-3-(3-methylbutyl)urea
CID 46383410
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2,3-dimethylphenyl)urea
CID 46383423
N-(2-methylpropyl)-2,3-dihydroindole-1-carbothioamide
CID 19686661

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methylpropyl)urea?
The IUPAC name of 1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methylpropyl)urea (CID 92881544) is 1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methylpropyl)urea?
The canonical SMILES for 1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methylpropyl)urea is CC(C)CNC(=O)N[C@@H](C)C(=O)N1CCc2ccccc21.
What is the InChIKey of 1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methylpropyl)urea?
The InChIKey is OKLWKCIEEPMIOD-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)10-17-16(21)18-12(3)15(20)19-9-8-13-6-4-5-7-14(13)19/h4-7,11-12H,8-10H2,1-3H3,(H2,17,18,21)/t12-/m0/s1.
What are the key properties of 1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methylpropyl)urea?
1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methylpropyl)urea has a molecular weight of 289.38 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methylpropyl)urea is sourced from PubChem (CID 92881544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).