1-(4-hydroxy-2-phenylbutan-2-yl)-3-(pyridin-2-ylmethyl)urea

C17H21N3O2 — CID 151527742

IUPAC1-(4-hydroxy-2-phenylbutan-2-yl)-3-(pyridin-2-ylmethyl)urea
SMILESCC(CCO)(NC(=O)NCc1ccccn1)c1ccccc1
InChIInChI=1S/C17H21N3O2/c1-17(10-12-21,14-7-3-2-4-8-14)20-16(22)19-13-15-9-5-6-11-18-15/h2-9,11,21H,10,12-13H2,1H3,(H2,19,20,22)
InChIKeyPVVCCMLPVBUNAG-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.18
Rot. Bonds6

About 1-(4-hydroxy-2-phenylbutan-2-yl)-3-(pyridin-2-ylmethyl)urea

1-(4-hydroxy-2-phenylbutan-2-yl)-3-(pyridin-2-ylmethyl)urea (PubChem CID 151527742) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-(4-hydroxy-2-phenylbutan-2-yl)-3-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(4-hydroxy-2-phenylbutan-2-yl)-3-(pyridin-2-ylmethyl)urea
PubChem CID151527742
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-(4-hydroxy-2-phenylbutan-2-yl)-3-(pyridin-2-ylmethyl)urea
SMILESCC(CCO)(NC(=O)NCc1ccccn1)c1ccccc1
InChIInChI=1S/C17H21N3O2/c1-17(10-12-21,14-7-3-2-4-8-14)20-16(22)19-13-15-9-5-6-11-18-15/h2-9,11,21H,10,12-13H2,1H3,(H2,19,20,22)
InChIKeyPVVCCMLPVBUNAG-UHFFFAOYSA-N
XLogP2.18
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(pyridin-2-ylmethyl)-3-(trifluoromethyl)urea
CID 108865913
1-(1-hydroxy-2-methylpentan-2-yl)-3-(pyridin-2-ylmethyl)urea
CID 111714218
2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide
CID 108963334
1-prop-1-en-2-yl-3-(pyridin-2-ylmethyl)urea
CID 108910258
1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 47134204
2-phenyl-1-(pyridin-2-ylmethylamino)propan-2-ol
CID 62373506
2-methyl-N-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]propanamide
CID 47126081
6-(4-tert-butylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120863
3-(4-tert-butylphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 2929509
4-tert-butyl-N-(pyridin-2-ylmethylcarbamoyl)-N-sulfanylbenzamide
CID 89499214
pyridin-2-ylmethylcarbamothioic S-acid
CID 22756402
1-phenyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 30944923

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-phenylbutan-2-yl)-3-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-(4-hydroxy-2-phenylbutan-2-yl)-3-(pyridin-2-ylmethyl)urea (CID 151527742) is 1-(4-hydroxy-2-phenylbutan-2-yl)-3-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-(4-hydroxy-2-phenylbutan-2-yl)-3-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-(4-hydroxy-2-phenylbutan-2-yl)-3-(pyridin-2-ylmethyl)urea is CC(CCO)(NC(=O)NCc1ccccn1)c1ccccc1.
What is the InChIKey of 1-(4-hydroxy-2-phenylbutan-2-yl)-3-(pyridin-2-ylmethyl)urea?
The InChIKey is PVVCCMLPVBUNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-17(10-12-21,14-7-3-2-4-8-14)20-16(22)19-13-15-9-5-6-11-18-15/h2-9,11,21H,10,12-13H2,1H3,(H2,19,20,22).
What are the key properties of 1-(4-hydroxy-2-phenylbutan-2-yl)-3-(pyridin-2-ylmethyl)urea?
1-(4-hydroxy-2-phenylbutan-2-yl)-3-(pyridin-2-ylmethyl)urea has a molecular weight of 299.37 g/mol, XLogP of 2.18, 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-phenylbutan-2-yl)-3-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 151527742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).