1-(5-chloro-2-propoxyphenyl)-3-(2-ethyl-2-hydroxybutyl)urea

C16H25ClN2O3 — CID 56555388

IUPAC1-(5-chloro-2-propoxyphenyl)-3-(2-ethyl-2-hydroxybutyl)urea
SMILESCCCOc1ccc(Cl)cc1NC(=O)NCC(O)(CC)CC
InChIInChI=1S/C16H25ClN2O3/c1-4-9-22-14-8-7-12(17)10-13(14)19-15(20)18-11-16(21,5-2)6-3/h7-8,10,21H,4-6,9,11H2,1-3H3,(H2,18,19,20)
InChIKeyVKLMXYBOQNATCU-UHFFFAOYSA-N
MW328.84 g/mol
LogP3.80
Rot. Bonds8

About 1-(5-chloro-2-propoxyphenyl)-3-(2-ethyl-2-hydroxybutyl)urea

1-(5-chloro-2-propoxyphenyl)-3-(2-ethyl-2-hydroxybutyl)urea (PubChem CID 56555388) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is 1-(5-chloro-2-propoxyphenyl)-3-(2-ethyl-2-hydroxybutyl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-propoxyphenyl)-3-(2-ethyl-2-hydroxybutyl)urea
PubChem CID56555388
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC Name1-(5-chloro-2-propoxyphenyl)-3-(2-ethyl-2-hydroxybutyl)urea
SMILESCCCOc1ccc(Cl)cc1NC(=O)NCC(O)(CC)CC
InChIInChI=1S/C16H25ClN2O3/c1-4-9-22-14-8-7-12(17)10-13(14)19-15(20)18-11-16(21,5-2)6-3/h7-8,10,21H,4-6,9,11H2,1-3H3,(H2,18,19,20)
InChIKeyVKLMXYBOQNATCU-UHFFFAOYSA-N
XLogP3.80
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(5-chloro-2-propoxyphenyl)-3-(1-hydroxypropan-2-yl)urea
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CID 61062461
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1-(5-chloro-2-methoxyphenyl)-3-[(2R)-2-hydroxy-3-methoxy-2-methylpropyl]urea
CID 95352044
4-amino-N-(5-chloro-2-propoxyphenyl)butanamide
CID 54862408
6-(5-chloro-2-propoxyanilino)-6-oxohexanoic acid
CID 60934091
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CID 79199775
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CID 75400136

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-propoxyphenyl)-3-(2-ethyl-2-hydroxybutyl)urea?
The IUPAC name of 1-(5-chloro-2-propoxyphenyl)-3-(2-ethyl-2-hydroxybutyl)urea (CID 56555388) is 1-(5-chloro-2-propoxyphenyl)-3-(2-ethyl-2-hydroxybutyl)urea.
What is the SMILES notation for 1-(5-chloro-2-propoxyphenyl)-3-(2-ethyl-2-hydroxybutyl)urea?
The canonical SMILES for 1-(5-chloro-2-propoxyphenyl)-3-(2-ethyl-2-hydroxybutyl)urea is CCCOc1ccc(Cl)cc1NC(=O)NCC(O)(CC)CC.
What is the InChIKey of 1-(5-chloro-2-propoxyphenyl)-3-(2-ethyl-2-hydroxybutyl)urea?
The InChIKey is VKLMXYBOQNATCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O3/c1-4-9-22-14-8-7-12(17)10-13(14)19-15(20)18-11-16(21,5-2)6-3/h7-8,10,21H,4-6,9,11H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-(5-chloro-2-propoxyphenyl)-3-(2-ethyl-2-hydroxybutyl)urea?
1-(5-chloro-2-propoxyphenyl)-3-(2-ethyl-2-hydroxybutyl)urea has a molecular weight of 328.84 g/mol, XLogP of 3.80, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-propoxyphenyl)-3-(2-ethyl-2-hydroxybutyl)urea is sourced from PubChem (CID 56555388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).