1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(furan-2-ylmethyl)urea

C17H19N3O3 — CID 46383463

IUPAC1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(furan-2-ylmethyl)urea
SMILESCC(NC(=O)NCc1ccco1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C17H19N3O3/c1-12(19-17(22)18-11-14-6-4-10-23-14)16(21)20-9-8-13-5-2-3-7-15(13)20/h2-7,10,12H,8-9,11H2,1H3,(H2,18,19,22)
InChIKeyRJXDBZWKXPVOQC-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.06
Rot. Bonds4

About 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(furan-2-ylmethyl)urea

1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(furan-2-ylmethyl)urea (PubChem CID 46383463) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(furan-2-ylmethyl)urea
PubChem CID46383463
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(furan-2-ylmethyl)urea
SMILESCC(NC(=O)NCc1ccco1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C17H19N3O3/c1-12(19-17(22)18-11-14-6-4-10-23-14)16(21)20-9-8-13-5-2-3-7-15(13)20/h2-7,10,12H,8-9,11H2,1H3,(H2,18,19,22)
InChIKeyRJXDBZWKXPVOQC-UHFFFAOYSA-N
XLogP2.06
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-ethylurea
CID 46383476
1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methylpropyl)urea
CID 92881544
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-[(4-fluorophenyl)methyl]urea
CID 46383464
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methylurea
CID 46383472
ethyl 2-[[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamoylamino]acetate
CID 92881497
N-(furan-2-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984232
2-(furan-2-ylmethylcarbamoylamino)propanoic acid
CID 4273789
ethyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate
CID 110348137
N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2-ethylbutanamide
CID 110348089
N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-1-hydroxycyclopentane-1-carboxamide
CID 110922742
1-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methylphenyl)urea
CID 92881468
1-(furan-2-ylmethyl)-3-propan-2-ylurea
CID 819269

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(furan-2-ylmethyl)urea?
The IUPAC name of 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(furan-2-ylmethyl)urea (CID 46383463) is 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(furan-2-ylmethyl)urea.
What is the SMILES notation for 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(furan-2-ylmethyl)urea?
The canonical SMILES for 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(furan-2-ylmethyl)urea is CC(NC(=O)NCc1ccco1)C(=O)N1CCc2ccccc21.
What is the InChIKey of 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(furan-2-ylmethyl)urea?
The InChIKey is RJXDBZWKXPVOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12(19-17(22)18-11-14-6-4-10-23-14)16(21)20-9-8-13-5-2-3-7-15(13)20/h2-7,10,12H,8-9,11H2,1H3,(H2,18,19,22).
What are the key properties of 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(furan-2-ylmethyl)urea?
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(furan-2-ylmethyl)urea has a molecular weight of 313.36 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(furan-2-ylmethyl)urea is sourced from PubChem (CID 46383463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).