1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-ethylurea

C14H19N3O2 — CID 46383476

IUPAC1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-ethylurea
SMILESCCNC(=O)NC(C)C(=O)N1CCc2ccccc21
InChIInChI=1S/C14H19N3O2/c1-3-15-14(19)16-10(2)13(18)17-9-8-11-6-4-5-7-12(11)17/h4-7,10H,3,8-9H2,1-2H3,(H2,15,16,19)
InChIKeyAXOZWBOJQKPRBB-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.28
Rot. Bonds3

About 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-ethylurea

1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-ethylurea (PubChem CID 46383476) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-ethylurea.

Molecular Properties

Compound Name1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-ethylurea
PubChem CID46383476
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-ethylurea
SMILESCCNC(=O)NC(C)C(=O)N1CCc2ccccc21
InChIInChI=1S/C14H19N3O2/c1-3-15-14(19)16-10(2)13(18)17-9-8-11-6-4-5-7-12(11)17/h4-7,10H,3,8-9H2,1-2H3,(H2,15,16,19)
InChIKeyAXOZWBOJQKPRBB-UHFFFAOYSA-N
XLogP1.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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-methylurea
CID 46383472
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(3-methylbutyl)urea
CID 46383468
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-[(4-fluorophenyl)methyl]urea
CID 46383464
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-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(furan-2-ylmethyl)urea
CID 46383463
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)-1-oxopropan-2-yl]-3-(2,3-dimethylphenyl)urea
CID 46383423
N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-1-hydroxycyclopentane-1-carboxamide
CID 110922742
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methoxyphenyl)urea
CID 46383419

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-ethylurea?
The IUPAC name of 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-ethylurea (CID 46383476) is 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-ethylurea.
What is the SMILES notation for 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-ethylurea?
The canonical SMILES for 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-ethylurea is CCNC(=O)NC(C)C(=O)N1CCc2ccccc21.
What is the InChIKey of 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-ethylurea?
The InChIKey is AXOZWBOJQKPRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-15-14(19)16-10(2)13(18)17-9-8-11-6-4-5-7-12(11)17/h4-7,10H,3,8-9H2,1-2H3,(H2,15,16,19).
What are the key properties of 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-ethylurea?
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-ethylurea has a molecular weight of 261.32 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-ethylurea is sourced from PubChem (CID 46383476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).