1-(4-hydroxy-1-phenylbutyl)-3-(1-methyl-2-oxo-4-pyridinyl)urea

C17H21N3O3 — CID 126820410

IUPAC1-(4-hydroxy-1-phenylbutyl)-3-(1-methyl-2-oxo-4-pyridinyl)urea
SMILESCn1ccc(NC(=O)NC(CCCO)c2ccccc2)cc1=O
InChIInChI=1S/C17H21N3O3/c1-20-10-9-14(12-16(20)22)18-17(23)19-15(8-5-11-21)13-6-3-2-4-7-13/h2-4,6-7,9-10,12,15,21H,5,8,11H2,1H3,(H2,18,19,23)
InChIKeyJDDUVRREINQEHT-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.02
Rot. Bonds6

About 1-(4-hydroxy-1-phenylbutyl)-3-(1-methyl-2-oxo-4-pyridinyl)urea

1-(4-hydroxy-1-phenylbutyl)-3-(1-methyl-2-oxo-4-pyridinyl)urea (PubChem CID 126820410) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-(4-hydroxy-1-phenylbutyl)-3-(1-methyl-2-oxo-4-pyridinyl)urea.

Molecular Properties

Compound Name1-(4-hydroxy-1-phenylbutyl)-3-(1-methyl-2-oxo-4-pyridinyl)urea
PubChem CID126820410
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name1-(4-hydroxy-1-phenylbutyl)-3-(1-methyl-2-oxo-4-pyridinyl)urea
SMILESCn1ccc(NC(=O)NC(CCCO)c2ccccc2)cc1=O
InChIInChI=1S/C17H21N3O3/c1-20-10-9-14(12-16(20)22)18-17(23)19-15(8-5-11-21)13-6-3-2-4-7-13/h2-4,6-7,9-10,12,15,21H,5,8,11H2,1H3,(H2,18,19,23)
InChIKeyJDDUVRREINQEHT-UHFFFAOYSA-N
XLogP2.02
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-hydroxy-1-phenylbutyl)-3-(3-methylphenyl)urea
CID 111450235
1-(3-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111450262
1-(3,5-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111452920
1-(4-hydroxy-1-phenylbutyl)-3-(3-methyl-1,2-benzoxazol-6-yl)urea
CID 127267207
1-(4-ethoxy-3-methylphenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111453271
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-phenylurea
CID 111450283
1-(4-hydroxy-1-phenylbutyl)-3-(5-methylthiophen-2-yl)urea
CID 111486785
1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(4-hydroxy-1-phenylbutyl)urea
CID 111475375
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-methylphenyl)urea
CID 111450296
1-(3-bromophenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111452513
N-(3-chlorophenyl)-N'-(4-hydroxy-1-phenylbutyl)oxamide
CID 111799086
1-(2,4-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111450259

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-1-phenylbutyl)-3-(1-methyl-2-oxo-4-pyridinyl)urea?
The IUPAC name of 1-(4-hydroxy-1-phenylbutyl)-3-(1-methyl-2-oxo-4-pyridinyl)urea (CID 126820410) is 1-(4-hydroxy-1-phenylbutyl)-3-(1-methyl-2-oxo-4-pyridinyl)urea.
What is the SMILES notation for 1-(4-hydroxy-1-phenylbutyl)-3-(1-methyl-2-oxo-4-pyridinyl)urea?
The canonical SMILES for 1-(4-hydroxy-1-phenylbutyl)-3-(1-methyl-2-oxo-4-pyridinyl)urea is Cn1ccc(NC(=O)NC(CCCO)c2ccccc2)cc1=O.
What is the InChIKey of 1-(4-hydroxy-1-phenylbutyl)-3-(1-methyl-2-oxo-4-pyridinyl)urea?
The InChIKey is JDDUVRREINQEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-20-10-9-14(12-16(20)22)18-17(23)19-15(8-5-11-21)13-6-3-2-4-7-13/h2-4,6-7,9-10,12,15,21H,5,8,11H2,1H3,(H2,18,19,23).
What are the key properties of 1-(4-hydroxy-1-phenylbutyl)-3-(1-methyl-2-oxo-4-pyridinyl)urea?
1-(4-hydroxy-1-phenylbutyl)-3-(1-methyl-2-oxo-4-pyridinyl)urea has a molecular weight of 315.37 g/mol, XLogP of 2.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-1-phenylbutyl)-3-(1-methyl-2-oxo-4-pyridinyl)urea is sourced from PubChem (CID 126820410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).