1-(4-hydroxy-2-phenylbutyl)-3-pyridin-2-ylurea

C16H19N3O2 — CID 111450045

IUPAC1-(4-hydroxy-2-phenylbutyl)-3-pyridin-2-ylurea
SMILESO=C(NCC(CCO)c1ccccc1)Nc1ccccn1
InChIInChI=1S/C16H19N3O2/c20-11-9-14(13-6-2-1-3-7-13)12-18-16(21)19-15-8-4-5-10-17-15/h1-8,10,14,20H,9,11-12H2,(H2,17,18,19,21)
InChIKeyFHGRYGVFZJVNMJ-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.37
Rot. Bonds6

About 1-(4-hydroxy-2-phenylbutyl)-3-pyridin-2-ylurea

1-(4-hydroxy-2-phenylbutyl)-3-pyridin-2-ylurea (PubChem CID 111450045) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-(4-hydroxy-2-phenylbutyl)-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-(4-hydroxy-2-phenylbutyl)-3-pyridin-2-ylurea
PubChem CID111450045
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-(4-hydroxy-2-phenylbutyl)-3-pyridin-2-ylurea
SMILESO=C(NCC(CCO)c1ccccc1)Nc1ccccn1
InChIInChI=1S/C16H19N3O2/c20-11-9-14(13-6-2-1-3-7-13)12-18-16(21)19-15-8-4-5-10-17-15/h1-8,10,14,20H,9,11-12H2,(H2,17,18,19,21)
InChIKeyFHGRYGVFZJVNMJ-UHFFFAOYSA-N
XLogP2.37
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-3-hydroxy-1-phenylpropyl]-3-pyridin-2-ylurea
CID 111450280
1-(2,6-dimethylphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111452788
1-(2,5-difluorophenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111452641
5-[(4-hydroxy-2-phenylbutyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685644
1-(4-hydroxy-2-phenylbutyl)-3-(2-methoxy-5-methylphenyl)urea
CID 111452697
1-[4-(cyanomethyl)phenyl]-3-(4-hydroxy-2-phenylbutyl)urea
CID 111452903
1-(4-fluoro-2-methoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111453003
1-pyridin-2-yl-3-(pyridin-4-ylmethyl)urea
CID 47237582
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-pyridin-2-ylurea
CID 110896235
1-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-pyridin-2-ylurea
CID 110491991
1-(3-chloro-2-methoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111453246
1-(2-cyano-4-fluorophenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111926804

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-phenylbutyl)-3-pyridin-2-ylurea?
The IUPAC name of 1-(4-hydroxy-2-phenylbutyl)-3-pyridin-2-ylurea (CID 111450045) is 1-(4-hydroxy-2-phenylbutyl)-3-pyridin-2-ylurea.
What is the SMILES notation for 1-(4-hydroxy-2-phenylbutyl)-3-pyridin-2-ylurea?
The canonical SMILES for 1-(4-hydroxy-2-phenylbutyl)-3-pyridin-2-ylurea is O=C(NCC(CCO)c1ccccc1)Nc1ccccn1.
What is the InChIKey of 1-(4-hydroxy-2-phenylbutyl)-3-pyridin-2-ylurea?
The InChIKey is FHGRYGVFZJVNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-11-9-14(13-6-2-1-3-7-13)12-18-16(21)19-15-8-4-5-10-17-15/h1-8,10,14,20H,9,11-12H2,(H2,17,18,19,21).
What are the key properties of 1-(4-hydroxy-2-phenylbutyl)-3-pyridin-2-ylurea?
1-(4-hydroxy-2-phenylbutyl)-3-pyridin-2-ylurea has a molecular weight of 285.35 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-phenylbutyl)-3-pyridin-2-ylurea is sourced from PubChem (CID 111450045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).