1-ethyl-3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]urea

C15H25N3O3 — CID 90673042

IUPAC1-ethyl-3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]urea
SMILESCCNC(=O)Nc1ccccc1OCC(O)CNC(C)C
InChIInChI=1S/C15H25N3O3/c1-4-16-15(20)18-13-7-5-6-8-14(13)21-10-12(19)9-17-11(2)3/h5-8,11-12,17,19H,4,9-10H2,1-3H3,(H2,16,18,20)
InChIKeyXRWVZHLRAXTWTE-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.57
Rot. Bonds8

About 1-ethyl-3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]urea

1-ethyl-3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]urea (PubChem CID 90673042) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-ethyl-3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]urea
PubChem CID90673042
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name1-ethyl-3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]urea
SMILESCCNC(=O)Nc1ccccc1OCC(O)CNC(C)C
InChIInChI=1S/C15H25N3O3/c1-4-16-15(20)18-13-7-5-6-8-14(13)21-10-12(19)9-17-11(2)3/h5-8,11-12,17,19H,4,9-10H2,1-3H3,(H2,16,18,20)
InChIKeyXRWVZHLRAXTWTE-UHFFFAOYSA-N
XLogP1.57
TPSA82.62 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]urea?
The IUPAC name of 1-ethyl-3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]urea (CID 90673042) is 1-ethyl-3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]urea.
What is the SMILES notation for 1-ethyl-3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]urea?
The canonical SMILES for 1-ethyl-3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]urea is CCNC(=O)Nc1ccccc1OCC(O)CNC(C)C.
What is the InChIKey of 1-ethyl-3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]urea?
The InChIKey is XRWVZHLRAXTWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-4-16-15(20)18-13-7-5-6-8-14(13)21-10-12(19)9-17-11(2)3/h5-8,11-12,17,19H,4,9-10H2,1-3H3,(H2,16,18,20).
What are the key properties of 1-ethyl-3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]urea?
1-ethyl-3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]urea has a molecular weight of 295.38 g/mol, XLogP of 1.57, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]urea is sourced from PubChem (CID 90673042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).