1-(1-hydroxy-2-methylpropan-2-yl)-3-(6-phenoxy-2-pyridinyl)urea

C16H19N3O3 — CID 167851183

IUPAC1-(1-hydroxy-2-methylpropan-2-yl)-3-(6-phenoxy-2-pyridinyl)urea
SMILESCC(C)(CO)NC(=O)Nc1cccc(Oc2ccccc2)n1
InChIInChI=1S/C16H19N3O3/c1-16(2,11-20)19-15(21)18-13-9-6-10-14(17-13)22-12-7-4-3-5-8-12/h3-10,20H,11H2,1-2H3,(H2,17,18,19,21)
InChIKeyBPENSOKADZYIAI-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.77
Rot. Bonds5

About 1-(1-hydroxy-2-methylpropan-2-yl)-3-(6-phenoxy-2-pyridinyl)urea

1-(1-hydroxy-2-methylpropan-2-yl)-3-(6-phenoxy-2-pyridinyl)urea (PubChem CID 167851183) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-(1-hydroxy-2-methylpropan-2-yl)-3-(6-phenoxy-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(1-hydroxy-2-methylpropan-2-yl)-3-(6-phenoxy-2-pyridinyl)urea
PubChem CID167851183
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name1-(1-hydroxy-2-methylpropan-2-yl)-3-(6-phenoxy-2-pyridinyl)urea
SMILESCC(C)(CO)NC(=O)Nc1cccc(Oc2ccccc2)n1
InChIInChI=1S/C16H19N3O3/c1-16(2,11-20)19-15(21)18-13-9-6-10-14(17-13)22-12-7-4-3-5-8-12/h3-10,20H,11H2,1-2H3,(H2,17,18,19,21)
InChIKeyBPENSOKADZYIAI-UHFFFAOYSA-N
XLogP2.77
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-6-phenoxypyridin-2-amine
CID 58106895
1-(1-hydroxy-2-methylpropan-2-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812798
1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-phenylphenyl)urea
CID 108867208
tert-butyl N-[2-oxo-2-[[6-(2-phenylphenoxy)-2-pyridinyl]amino]ethyl]carbamate
CID 146265063
1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)urea
CID 43392833
1-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-(6-phenoxy-2-pyridinyl)urea
CID 138053836
(2R)-2-amino-N-[6-(2-phenylphenoxy)-2-pyridinyl]butanamide
CID 146264478
4-methyl-4-[(3-pyridin-2-yloxyphenyl)carbamoylamino]pentanoic acid
CID 122085969
1-(1-hydroxy-2-methylpropan-2-yl)-3-(2-sulfanylphenyl)urea
CID 108886544
1-(1-hydroxy-2-methylpropan-2-yl)-3-(3-prop-2-enoxyphenyl)urea
CID 111976896
1-(1-hydroxy-2-methylpropan-2-yl)-3-[2-(2-methylpropoxy)phenyl]urea
CID 110901135
N-[2-[[6-(ethylamino)-2-pyridinyl]oxy]phenyl]acetamide
CID 80881560

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2-methylpropan-2-yl)-3-(6-phenoxy-2-pyridinyl)urea?
The IUPAC name of 1-(1-hydroxy-2-methylpropan-2-yl)-3-(6-phenoxy-2-pyridinyl)urea (CID 167851183) is 1-(1-hydroxy-2-methylpropan-2-yl)-3-(6-phenoxy-2-pyridinyl)urea.
What is the SMILES notation for 1-(1-hydroxy-2-methylpropan-2-yl)-3-(6-phenoxy-2-pyridinyl)urea?
The canonical SMILES for 1-(1-hydroxy-2-methylpropan-2-yl)-3-(6-phenoxy-2-pyridinyl)urea is CC(C)(CO)NC(=O)Nc1cccc(Oc2ccccc2)n1.
What is the InChIKey of 1-(1-hydroxy-2-methylpropan-2-yl)-3-(6-phenoxy-2-pyridinyl)urea?
The InChIKey is BPENSOKADZYIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-16(2,11-20)19-15(21)18-13-9-6-10-14(17-13)22-12-7-4-3-5-8-12/h3-10,20H,11H2,1-2H3,(H2,17,18,19,21).
What are the key properties of 1-(1-hydroxy-2-methylpropan-2-yl)-3-(6-phenoxy-2-pyridinyl)urea?
1-(1-hydroxy-2-methylpropan-2-yl)-3-(6-phenoxy-2-pyridinyl)urea has a molecular weight of 301.35 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2-methylpropan-2-yl)-3-(6-phenoxy-2-pyridinyl)urea is sourced from PubChem (CID 167851183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).