3-(3-cyclopentyloxyanilino)propane-1,2-diol

C14H21NO3 — CID 168595070

IUPAC3-(3-cyclopentyloxyanilino)propane-1,2-diol
SMILESOCC(O)CNc1cccc(OC2CCCC2)c1
InChIInChI=1S/C14H21NO3/c16-10-12(17)9-15-11-4-3-7-14(8-11)18-13-5-1-2-6-13/h3-4,7-8,12-13,15-17H,1-2,5-6,9-10H2
InChIKeyUZKJEUPCNVIBJG-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.77
Rot. Bonds6

About 3-(3-cyclopentyloxyanilino)propane-1,2-diol

3-(3-cyclopentyloxyanilino)propane-1,2-diol (PubChem CID 168595070) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-(3-cyclopentyloxyanilino)propane-1,2-diol.

Molecular Properties

Compound Name3-(3-cyclopentyloxyanilino)propane-1,2-diol
PubChem CID168595070
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name3-(3-cyclopentyloxyanilino)propane-1,2-diol
SMILESOCC(O)CNc1cccc(OC2CCCC2)c1
InChIInChI=1S/C14H21NO3/c16-10-12(17)9-15-11-4-3-7-14(8-11)18-13-5-1-2-6-13/h3-4,7-8,12-13,15-17H,1-2,5-6,9-10H2
InChIKeyUZKJEUPCNVIBJG-UHFFFAOYSA-N
XLogP1.77
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-cyclohexyloxyanilino)propane-1,2-diol
CID 168596583
(3-cyclopentyloxyphenyl)hydrazine
CID 55281400
3-(3-butoxyanilino)propane-1,2-diol
CID 168597577
3-(2-cyclopentyloxy-3-fluoroanilino)propane-1,2-diol
CID 168595650
2-(3-cyclopentyloxyanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 37231584
1-cyclopentyloxy-3-(3-methylanilino)propan-2-ol
CID 60902650
1-cyclopentyloxy-3-(3-fluoroanilino)propan-2-ol
CID 60897752
N-[3-(2,3-dihydroxypropylamino)phenyl]cyclopropanesulfonamide
CID 168594420
3-(3-methylanilino)propane-1,2-diol
CID 3016394
1-cyclohexyloxy-3-(3-iodoanilino)propan-2-ol
CID 60899841
2-(3-cyclopentyloxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 37231455
1-(3-cyclopentyloxyphenyl)-3-(4-hydroxy-2-methylpentyl)urea
CID 111452989

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentyloxyanilino)propane-1,2-diol?
The IUPAC name of 3-(3-cyclopentyloxyanilino)propane-1,2-diol (CID 168595070) is 3-(3-cyclopentyloxyanilino)propane-1,2-diol.
What is the SMILES notation for 3-(3-cyclopentyloxyanilino)propane-1,2-diol?
The canonical SMILES for 3-(3-cyclopentyloxyanilino)propane-1,2-diol is OCC(O)CNc1cccc(OC2CCCC2)c1.
What is the InChIKey of 3-(3-cyclopentyloxyanilino)propane-1,2-diol?
The InChIKey is UZKJEUPCNVIBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c16-10-12(17)9-15-11-4-3-7-14(8-11)18-13-5-1-2-6-13/h3-4,7-8,12-13,15-17H,1-2,5-6,9-10H2.
What are the key properties of 3-(3-cyclopentyloxyanilino)propane-1,2-diol?
3-(3-cyclopentyloxyanilino)propane-1,2-diol has a molecular weight of 251.33 g/mol, XLogP of 1.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyloxyanilino)propane-1,2-diol is sourced from PubChem (CID 168595070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).