1-(4-hydroxy-4-phenylbutan-2-yl)-3-[2-(oxan-2-yl)ethyl]urea

C18H28N2O3 — CID 110025026

IUPAC1-(4-hydroxy-4-phenylbutan-2-yl)-3-[2-(oxan-2-yl)ethyl]urea
SMILESCC(CC(O)c1ccccc1)NC(=O)NCCC1CCCCO1
InChIInChI=1S/C18H28N2O3/c1-14(13-17(21)15-7-3-2-4-8-15)20-18(22)19-11-10-16-9-5-6-12-23-16/h2-4,7-8,14,16-17,21H,5-6,9-13H2,1H3,(H2,19,20,22)
InChIKeyGAOZSFYQOCEXJG-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.76
Rot. Bonds7

About 1-(4-hydroxy-4-phenylbutan-2-yl)-3-[2-(oxan-2-yl)ethyl]urea

1-(4-hydroxy-4-phenylbutan-2-yl)-3-[2-(oxan-2-yl)ethyl]urea (PubChem CID 110025026) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 1-(4-hydroxy-4-phenylbutan-2-yl)-3-[2-(oxan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-hydroxy-4-phenylbutan-2-yl)-3-[2-(oxan-2-yl)ethyl]urea
PubChem CID110025026
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name1-(4-hydroxy-4-phenylbutan-2-yl)-3-[2-(oxan-2-yl)ethyl]urea
SMILESCC(CC(O)c1ccccc1)NC(=O)NCCC1CCCCO1
InChIInChI=1S/C18H28N2O3/c1-14(13-17(21)15-7-3-2-4-8-15)20-18(22)19-11-10-16-9-5-6-12-23-16/h2-4,7-8,14,16-17,21H,5-6,9-13H2,1H3,(H2,19,20,22)
InChIKeyGAOZSFYQOCEXJG-UHFFFAOYSA-N
XLogP2.76
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-hydroxy-4-phenylbutan-2-yl)carbamoylamino]butanoic acid
CID 122022223
1-(4-hydroxy-2-phenylbutyl)-3-[2-(oxan-2-yl)ethyl]urea
CID 110019268
(2S)-2-[2-(oxan-2-yl)ethylcarbamoylamino]butanoic acid
CID 114135764
1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]urea
CID 95767331
3-amino-N-[2-(oxolan-2-yl)ethyl]-2-phenylpropanamide
CID 62878363
(2R)-N-(furan-2-ylmethyl)-2-[2-[(2R)-oxolan-2-yl]ethylcarbamoylamino]propanamide
CID 95145817
(2R)-N-(furan-2-ylmethyl)-2-[2-[(2S)-oxolan-2-yl]ethylcarbamoylamino]propanamide
CID 95145815
2-(4-bromophenyl)-2-hydroxy-N-[2-(oxan-2-yl)ethyl]acetamide
CID 75518879
N-cyclopentyl-N'-(4-hydroxy-4-phenylbutan-2-yl)butanediamide
CID 109478424
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
CID 65163698
3-[(2S)-oxolan-2-yl]-N-[(3R)-3-phenylbutyl]propanamide
CID 94821729
4-[3-(oxan-2-yl)propanoylamino]-4-phenylbutanoic acid
CID 119201385

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-4-phenylbutan-2-yl)-3-[2-(oxan-2-yl)ethyl]urea?
The IUPAC name of 1-(4-hydroxy-4-phenylbutan-2-yl)-3-[2-(oxan-2-yl)ethyl]urea (CID 110025026) is 1-(4-hydroxy-4-phenylbutan-2-yl)-3-[2-(oxan-2-yl)ethyl]urea.
What is the SMILES notation for 1-(4-hydroxy-4-phenylbutan-2-yl)-3-[2-(oxan-2-yl)ethyl]urea?
The canonical SMILES for 1-(4-hydroxy-4-phenylbutan-2-yl)-3-[2-(oxan-2-yl)ethyl]urea is CC(CC(O)c1ccccc1)NC(=O)NCCC1CCCCO1.
What is the InChIKey of 1-(4-hydroxy-4-phenylbutan-2-yl)-3-[2-(oxan-2-yl)ethyl]urea?
The InChIKey is GAOZSFYQOCEXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-14(13-17(21)15-7-3-2-4-8-15)20-18(22)19-11-10-16-9-5-6-12-23-16/h2-4,7-8,14,16-17,21H,5-6,9-13H2,1H3,(H2,19,20,22).
What are the key properties of 1-(4-hydroxy-4-phenylbutan-2-yl)-3-[2-(oxan-2-yl)ethyl]urea?
1-(4-hydroxy-4-phenylbutan-2-yl)-3-[2-(oxan-2-yl)ethyl]urea has a molecular weight of 320.43 g/mol, XLogP of 2.76, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-4-phenylbutan-2-yl)-3-[2-(oxan-2-yl)ethyl]urea is sourced from PubChem (CID 110025026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).