1-(1-hydroxy-4-methylpentan-3-yl)-3-[1-(4-pyridin-3-ylphenyl)ethyl]urea

C20H27N3O2 — CID 111619429

IUPAC1-(1-hydroxy-4-methylpentan-3-yl)-3-[1-(4-pyridin-3-ylphenyl)ethyl]urea
SMILESCC(NC(=O)NC(CCO)C(C)C)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C20H27N3O2/c1-14(2)19(10-12-24)23-20(25)22-15(3)16-6-8-17(9-7-16)18-5-4-11-21-13-18/h4-9,11,13-15,19,24H,10,12H2,1-3H3,(H2,22,23,25)
InChIKeyKQLXWBQLOKPCJB-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.52
Rot. Bonds7

About 1-(1-hydroxy-4-methylpentan-3-yl)-3-[1-(4-pyridin-3-ylphenyl)ethyl]urea

1-(1-hydroxy-4-methylpentan-3-yl)-3-[1-(4-pyridin-3-ylphenyl)ethyl]urea (PubChem CID 111619429) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-(1-hydroxy-4-methylpentan-3-yl)-3-[1-(4-pyridin-3-ylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(1-hydroxy-4-methylpentan-3-yl)-3-[1-(4-pyridin-3-ylphenyl)ethyl]urea
PubChem CID111619429
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name1-(1-hydroxy-4-methylpentan-3-yl)-3-[1-(4-pyridin-3-ylphenyl)ethyl]urea
SMILESCC(NC(=O)NC(CCO)C(C)C)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C20H27N3O2/c1-14(2)19(10-12-24)23-20(25)22-15(3)16-6-8-17(9-7-16)18-5-4-11-21-13-18/h4-9,11,13-15,19,24H,10,12H2,1-3H3,(H2,22,23,25)
InChIKeyKQLXWBQLOKPCJB-UHFFFAOYSA-N
XLogP3.52
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(1-hydroxy-4-methylpentan-3-yl)-3-[1-(4-pyridin-3-ylphenyl)ethyl]urea with MolForge

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Related Compounds

1-(3-hydroxypropyl)-3-[1-(4-pyridin-3-ylphenyl)ethyl]urea
CID 111619428
1-[(2S)-1-hydroxybutan-2-yl]-3-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]urea
CID 97096200
1-prop-2-ynyl-3-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]urea
CID 96524118
2-(methylamino)-N-[1-(4-pyridin-3-ylphenyl)ethyl]acetamide
CID 120704866
1-(2-methoxy-2-methylpropyl)-3-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]urea
CID 97020818
N-(1-hydroxy-4-methylpentan-3-yl)pyridine-3-carboxamide
CID 103751046
1-(1-methyl-2-oxo-3-pyridinyl)-3-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]urea
CID 97020819
1-(4-hydroxy-2-methylbutyl)-3-[1-(4-phenylphenyl)ethyl]urea
CID 111503985
1,5-dimethyl-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 96567499
N-[(1R)-1-(4-pyridin-4-ylphenyl)ethyl]pyridine-3-carboxamide
CID 95935601
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]propanamide
CID 96567500
N-[1-(4-pyridin-3-ylphenyl)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119897485

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-4-methylpentan-3-yl)-3-[1-(4-pyridin-3-ylphenyl)ethyl]urea?
The IUPAC name of 1-(1-hydroxy-4-methylpentan-3-yl)-3-[1-(4-pyridin-3-ylphenyl)ethyl]urea (CID 111619429) is 1-(1-hydroxy-4-methylpentan-3-yl)-3-[1-(4-pyridin-3-ylphenyl)ethyl]urea.
What is the SMILES notation for 1-(1-hydroxy-4-methylpentan-3-yl)-3-[1-(4-pyridin-3-ylphenyl)ethyl]urea?
The canonical SMILES for 1-(1-hydroxy-4-methylpentan-3-yl)-3-[1-(4-pyridin-3-ylphenyl)ethyl]urea is CC(NC(=O)NC(CCO)C(C)C)c1ccc(-c2cccnc2)cc1.
What is the InChIKey of 1-(1-hydroxy-4-methylpentan-3-yl)-3-[1-(4-pyridin-3-ylphenyl)ethyl]urea?
The InChIKey is KQLXWBQLOKPCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14(2)19(10-12-24)23-20(25)22-15(3)16-6-8-17(9-7-16)18-5-4-11-21-13-18/h4-9,11,13-15,19,24H,10,12H2,1-3H3,(H2,22,23,25).
What are the key properties of 1-(1-hydroxy-4-methylpentan-3-yl)-3-[1-(4-pyridin-3-ylphenyl)ethyl]urea?
1-(1-hydroxy-4-methylpentan-3-yl)-3-[1-(4-pyridin-3-ylphenyl)ethyl]urea has a molecular weight of 341.46 g/mol, XLogP of 3.52, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-4-methylpentan-3-yl)-3-[1-(4-pyridin-3-ylphenyl)ethyl]urea is sourced from PubChem (CID 111619429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).