1-propyl-3-[2-[[2-(propylcarbamoylamino)phenyl]diselanyl]phenyl]urea

C20H26N4O2Se2 — CID 5272992

IUPAC1-propyl-3-[2-[[2-(propylcarbamoylamino)phenyl]diselanyl]phenyl]urea
SMILESCCCNC(=O)Nc1ccccc1[Se][Se]c1ccccc1NC(=O)NCCC
InChIInChI=1S/C20H26N4O2Se2/c1-3-13-21-19(25)23-15-9-5-7-11-17(15)27-28-18-12-8-6-10-16(18)24-20(26)22-14-4-2/h5-12H,3-4,13-14H2,1-2H3,(H2,21,23,25)(H2,22,24,26)
InChIKeyMYWLHZCLZMKNAR-UHFFFAOYSA-N
MW512.37 g/mol
LogP2.02
Rot. Bonds9

About 1-propyl-3-[2-[[2-(propylcarbamoylamino)phenyl]diselanyl]phenyl]urea

1-propyl-3-[2-[[2-(propylcarbamoylamino)phenyl]diselanyl]phenyl]urea (PubChem CID 5272992) has the molecular formula C20H26N4O2Se2 and a molecular weight of 512.37 g/mol. Its IUPAC name is 1-propyl-3-[2-[[2-(propylcarbamoylamino)phenyl]diselanyl]phenyl]urea.

Molecular Properties

Compound Name1-propyl-3-[2-[[2-(propylcarbamoylamino)phenyl]diselanyl]phenyl]urea
PubChem CID5272992
Molecular FormulaC20H26N4O2Se2
Molecular Weight512.37 g/mol
Exact Mass514.04
IUPAC Name1-propyl-3-[2-[[2-(propylcarbamoylamino)phenyl]diselanyl]phenyl]urea
SMILESCCCNC(=O)Nc1ccccc1[Se][Se]c1ccccc1NC(=O)NCCC
InChIInChI=1S/C20H26N4O2Se2/c1-3-13-21-19(25)23-15-9-5-7-11-17(15)27-28-18-12-8-6-10-16(18)24-20(26)22-14-4-2/h5-12H,3-4,13-14H2,1-2H3,(H2,21,23,25)(H2,22,24,26)
InChIKeyMYWLHZCLZMKNAR-UHFFFAOYSA-N
XLogP2.02
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.37
LogP ≤ 52.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-propyl-3-[2-[[2-(propylcarbamoylamino)phenyl]diselanyl]phenyl]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

1-(2-nitrophenyl)-3-propylurea
CID 31682023
1-(2,3-dichlorophenyl)-3-propylurea
CID 4654956
1-[2-(phenoxymethyl)phenyl]-3-propylurea
CID 60545912
1-propyl-3-(2-pyrrolidin-1-ylphenyl)urea
CID 47107994
1-[2-(azepan-1-yl)phenyl]-3-propylurea
CID 47201899
(2S)-2-amino-N-[2-[[2-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]diselanyl]phenyl]-4-methylpentanamide
CID 24862332
1-propyl-3-[2-(pyrrolidine-1-carbonyl)phenyl]urea
CID 47201043
1-[2-(4-benzoylanilino)phenyl]-3-propylurea
CID 18358241
1-(2-morpholin-4-ylphenyl)-3-propylurea
CID 110755134
1-propyl-3-quinolin-8-ylurea
CID 13078451
1-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-propylurea
CID 110749128
1-(2-phenoxy-3-pyridinyl)-3-propylurea
CID 47041336

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-[2-[[2-(propylcarbamoylamino)phenyl]diselanyl]phenyl]urea?
The IUPAC name of 1-propyl-3-[2-[[2-(propylcarbamoylamino)phenyl]diselanyl]phenyl]urea (CID 5272992) is 1-propyl-3-[2-[[2-(propylcarbamoylamino)phenyl]diselanyl]phenyl]urea.
What is the SMILES notation for 1-propyl-3-[2-[[2-(propylcarbamoylamino)phenyl]diselanyl]phenyl]urea?
The canonical SMILES for 1-propyl-3-[2-[[2-(propylcarbamoylamino)phenyl]diselanyl]phenyl]urea is CCCNC(=O)Nc1ccccc1[Se][Se]c1ccccc1NC(=O)NCCC.
What is the InChIKey of 1-propyl-3-[2-[[2-(propylcarbamoylamino)phenyl]diselanyl]phenyl]urea?
The InChIKey is MYWLHZCLZMKNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2Se2/c1-3-13-21-19(25)23-15-9-5-7-11-17(15)27-28-18-12-8-6-10-16(18)24-20(26)22-14-4-2/h5-12H,3-4,13-14H2,1-2H3,(H2,21,23,25)(H2,22,24,26).
What are the key properties of 1-propyl-3-[2-[[2-(propylcarbamoylamino)phenyl]diselanyl]phenyl]urea?
1-propyl-3-[2-[[2-(propylcarbamoylamino)phenyl]diselanyl]phenyl]urea has a molecular weight of 512.37 g/mol, XLogP of 2.02, 9 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-[2-[[2-(propylcarbamoylamino)phenyl]diselanyl]phenyl]urea is sourced from PubChem (CID 5272992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).