1-(2-hydroxyethyl)-3-[4-[[4-(2-hydroxyethylcarbamoylamino)phenyl]methyl]phenyl]urea

C19H24N4O4 — CID 2251785

IUPAC1-(2-hydroxyethyl)-3-[4-[[4-(2-hydroxyethylcarbamoylamino)phenyl]methyl]phenyl]urea
SMILESO=C(NCCO)Nc1ccc(Cc2ccc(NC(=O)NCCO)cc2)cc1
InChIInChI=1S/C19H24N4O4/c24-11-9-20-18(26)22-16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)23-19(27)21-10-12-25/h1-8,24-25H,9-13H2,(H2,20,22,26)(H2,21,23,27)
InChIKeyLZUBGQYVUZIPHB-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.50
Rot. Bonds8

About 1-(2-hydroxyethyl)-3-[4-[[4-(2-hydroxyethylcarbamoylamino)phenyl]methyl]phenyl]urea

1-(2-hydroxyethyl)-3-[4-[[4-(2-hydroxyethylcarbamoylamino)phenyl]methyl]phenyl]urea (PubChem CID 2251785) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[4-[[4-(2-hydroxyethylcarbamoylamino)phenyl]methyl]phenyl]urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[4-[[4-(2-hydroxyethylcarbamoylamino)phenyl]methyl]phenyl]urea
PubChem CID2251785
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name1-(2-hydroxyethyl)-3-[4-[[4-(2-hydroxyethylcarbamoylamino)phenyl]methyl]phenyl]urea
SMILESO=C(NCCO)Nc1ccc(Cc2ccc(NC(=O)NCCO)cc2)cc1
InChIInChI=1S/C19H24N4O4/c24-11-9-20-18(26)22-16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)23-19(27)21-10-12-25/h1-8,24-25H,9-13H2,(H2,20,22,26)(H2,21,23,27)
InChIKeyLZUBGQYVUZIPHB-UHFFFAOYSA-N
XLogP1.50
TPSA122.72 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.43
LogP ≤ 51.50
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

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Related Compounds

Atglistatin
CID 71699712
1-Cyclohexyl-3-(P-tolyl)urea
CID 280350
Urea, N,N''-(methylenedi-4,1-phenylene)bis[N',N'-dimethyl-
CID 305607
N-Octyl-N'-(4-((4-(((octylamino)carbonyl)amino)phenyl)methyl)phenyl)urea
CID 14299396
4-Morpholinecarboxamide, N,N'-(methylenedi-4,1-phenylene)bis-
CID 116583
1-(Biphenyl-4-yl)-3-(4-(piperidin-1-yl)butyl)urea
CID 46831055
N-[4-(propan-2-yl)phenyl]morpholine-4-carboxamide
CID 669753
1-(4-Fluorophenyl)-3-(4-phenylbutyl)urea
CID 24818667
N-(4-Methylphenyl)-N'-(4-phenylbutyl)urea
CID 24818670
1-(2-Methylphenyl)-3-(4-phenylbutyl)urea
CID 24819105
1-Phenyl-3-(3-phenylpropyl)urea
CID 280361
1-Benzyl-3-phenylurea
CID 280363

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[4-[[4-(2-hydroxyethylcarbamoylamino)phenyl]methyl]phenyl]urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-[4-[[4-(2-hydroxyethylcarbamoylamino)phenyl]methyl]phenyl]urea (CID 2251785) is 1-(2-hydroxyethyl)-3-[4-[[4-(2-hydroxyethylcarbamoylamino)phenyl]methyl]phenyl]urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[4-[[4-(2-hydroxyethylcarbamoylamino)phenyl]methyl]phenyl]urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[4-[[4-(2-hydroxyethylcarbamoylamino)phenyl]methyl]phenyl]urea is O=C(NCCO)Nc1ccc(Cc2ccc(NC(=O)NCCO)cc2)cc1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[4-[[4-(2-hydroxyethylcarbamoylamino)phenyl]methyl]phenyl]urea?
The InChIKey is LZUBGQYVUZIPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c24-11-9-20-18(26)22-16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)23-19(27)21-10-12-25/h1-8,24-25H,9-13H2,(H2,20,22,26)(H2,21,23,27).
What are the key properties of 1-(2-hydroxyethyl)-3-[4-[[4-(2-hydroxyethylcarbamoylamino)phenyl]methyl]phenyl]urea?
1-(2-hydroxyethyl)-3-[4-[[4-(2-hydroxyethylcarbamoylamino)phenyl]methyl]phenyl]urea has a molecular weight of 372.43 g/mol, XLogP of 1.50, 8 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[4-[[4-(2-hydroxyethylcarbamoylamino)phenyl]methyl]phenyl]urea is sourced from PubChem (CID 2251785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).