1-tert-butyl-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]urea

C15H21N3O2 — CID 46383527

IUPAC1-tert-butyl-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]urea
SMILESCC(C)(C)NC(=O)NCC(=O)N1CCc2ccccc21
InChIInChI=1S/C15H21N3O2/c1-15(2,3)17-14(20)16-10-13(19)18-9-8-11-6-4-5-7-12(11)18/h4-7H,8-10H2,1-3H3,(H2,16,17,20)
InChIKeyXWZHOPYAOVHBSV-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.67
Rot. Bonds2

About 1-tert-butyl-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]urea

1-tert-butyl-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]urea (PubChem CID 46383527) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-tert-butyl-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]urea
PubChem CID46383527
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-tert-butyl-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]urea
SMILESCC(C)(C)NC(=O)NCC(=O)N1CCc2ccccc21
InChIInChI=1S/C15H21N3O2/c1-15(2,3)17-14(20)16-10-13(19)18-9-8-11-6-4-5-7-12(11)18/h4-7H,8-10H2,1-3H3,(H2,16,17,20)
InChIKeyXWZHOPYAOVHBSV-UHFFFAOYSA-N
XLogP1.67
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-tert-butyl-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide
CID 47413298
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(3-methoxypropyl)urea
CID 46383502
1-tert-butyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]guanidine
CID 111097765
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(2-methoxyphenyl)urea
CID 46383478
1-tert-butyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-ethylguanidine;hydroiodide
CID 110966467
2-(tert-butylamino)-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
CID 78928291
3-amino-1-(2,3-dihydroindol-1-yl)-3-methylbutan-1-one
CID 64686330
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methylsulfonylpropanamide
CID 110606116
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
(2R)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]propanoic acid
CID 83194966
1-(2,3-dihydroindol-1-yl)-2-(2-methoxyanilino)ethanone
CID 9080490
N-[2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 110673378

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]urea?
The IUPAC name of 1-tert-butyl-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]urea (CID 46383527) is 1-tert-butyl-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]urea.
What is the SMILES notation for 1-tert-butyl-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]urea?
The canonical SMILES for 1-tert-butyl-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]urea is CC(C)(C)NC(=O)NCC(=O)N1CCc2ccccc21.
What is the InChIKey of 1-tert-butyl-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]urea?
The InChIKey is XWZHOPYAOVHBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-15(2,3)17-14(20)16-10-13(19)18-9-8-11-6-4-5-7-12(11)18/h4-7H,8-10H2,1-3H3,(H2,16,17,20).
What are the key properties of 1-tert-butyl-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]urea?
1-tert-butyl-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]urea has a molecular weight of 275.35 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]urea is sourced from PubChem (CID 46383527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).