1-tert-butyl-3-(2-hydroxy-3-phenylpropyl)urea

C14H22N2O2 — CID 56765314

IUPAC1-tert-butyl-3-(2-hydroxy-3-phenylpropyl)urea
SMILESCC(C)(C)NC(=O)NCC(O)Cc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)16-13(18)15-10-12(17)9-11-7-5-4-6-8-11/h4-8,12,17H,9-10H2,1-3H3,(H2,15,16,18)
InChIKeyIXXUCIXNSXWTPK-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.69
Rot. Bonds4

About 1-tert-butyl-3-(2-hydroxy-3-phenylpropyl)urea

1-tert-butyl-3-(2-hydroxy-3-phenylpropyl)urea (PubChem CID 56765314) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-tert-butyl-3-(2-hydroxy-3-phenylpropyl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(2-hydroxy-3-phenylpropyl)urea
PubChem CID56765314
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-tert-butyl-3-(2-hydroxy-3-phenylpropyl)urea
SMILESCC(C)(C)NC(=O)NCC(O)Cc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)16-13(18)15-10-12(17)9-11-7-5-4-6-8-11/h4-8,12,17H,9-10H2,1-3H3,(H2,15,16,18)
InChIKeyIXXUCIXNSXWTPK-UHFFFAOYSA-N
XLogP1.69
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

Fepradinol
CID 68819
(4R,5R,6R)-Tetrahydro-5-hydroxy-4-(2-phenylethyl)-6-(phenylmethyl)-2(1H)-pyrimidinone
CID 475826
1-(4-Hydroxycyclohexyl)-3-(4-phenylbutyl)urea
CID 154665770
1-(4-Hydroxy-2-methylcyclohexyl)-3-(4-phenylbutyl)urea
CID 154665781
1-(Methylamino)-3-phenylpropan-2-ol
CID 3047196
Urea, (beta-hydroxyphenethyl)-
CID 212827
alpha-[[(1-Methylethyl)amino]methyl]benzeneethanol
CID 29545
1-[(1R)-2-hydroxy-1-phenylethyl]-3-(3-phenylpropyl)urea
CID 127044774
N-(2-hydroxy-3-phenylpropyl)acetamide
CID 15094684
[(2R)-3-methyl-1-phenylbutan-2-yl] N-[(2S)-1-hydroxyhexan-2-yl]carbamate
CID 23586136
N'-Cyclohexyl-N-(1-hydroxy-3-phenylpropan-2-yl)carbamimidic acid
CID 209000
N-Dodecyl-N'-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]urea
CID 44456844

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(2-hydroxy-3-phenylpropyl)urea?
The IUPAC name of 1-tert-butyl-3-(2-hydroxy-3-phenylpropyl)urea (CID 56765314) is 1-tert-butyl-3-(2-hydroxy-3-phenylpropyl)urea.
What is the SMILES notation for 1-tert-butyl-3-(2-hydroxy-3-phenylpropyl)urea?
The canonical SMILES for 1-tert-butyl-3-(2-hydroxy-3-phenylpropyl)urea is CC(C)(C)NC(=O)NCC(O)Cc1ccccc1.
What is the InChIKey of 1-tert-butyl-3-(2-hydroxy-3-phenylpropyl)urea?
The InChIKey is IXXUCIXNSXWTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,3)16-13(18)15-10-12(17)9-11-7-5-4-6-8-11/h4-8,12,17H,9-10H2,1-3H3,(H2,15,16,18).
What are the key properties of 1-tert-butyl-3-(2-hydroxy-3-phenylpropyl)urea?
1-tert-butyl-3-(2-hydroxy-3-phenylpropyl)urea has a molecular weight of 250.34 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(2-hydroxy-3-phenylpropyl)urea is sourced from PubChem (CID 56765314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).