1-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-3-(oxan-4-yl)urea

C17H26N2O3 — CID 100676097

IUPAC1-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-3-(oxan-4-yl)urea
SMILESC[C@@](O)(CCc1ccccc1)CNC(=O)NC1CCOCC1
InChIInChI=1S/C17H26N2O3/c1-17(21,10-7-14-5-3-2-4-6-14)13-18-16(20)19-15-8-11-22-12-9-15/h2-6,15,21H,7-13H2,1H3,(H2,18,19,20)/t17-/m1/s1
InChIKeyDLCICTFDKGWGMZ-QGZVFWFLSA-N
MW306.41 g/mol
LogP1.85
Rot. Bonds6

About 1-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-3-(oxan-4-yl)urea

1-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-3-(oxan-4-yl)urea (PubChem CID 100676097) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-3-(oxan-4-yl)urea.

Molecular Properties

Compound Name1-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-3-(oxan-4-yl)urea
PubChem CID100676097
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-3-(oxan-4-yl)urea
SMILESC[C@@](O)(CCc1ccccc1)CNC(=O)NC1CCOCC1
InChIInChI=1S/C17H26N2O3/c1-17(21,10-7-14-5-3-2-4-6-14)13-18-16(20)19-15-8-11-22-12-9-15/h2-6,15,21H,7-13H2,1H3,(H2,18,19,20)/t17-/m1/s1
InChIKeyDLCICTFDKGWGMZ-QGZVFWFLSA-N
XLogP1.85
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-3-(oxan-4-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-cycloheptyl-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
CID 90498657
1-(oxan-4-yl)-3-(4-phenylbutyl)urea
CID 118398503
1-(2-methyl-3-phenylpropyl)-3-(oxan-4-yl)urea
CID 110608624
1-cyclohexyl-3-(2-hydroxy-2-phenylpropyl)urea
CID 110664080
1-(1,3-benzodioxol-5-yl)-3-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]urea
CID 52907007
1-[(3R)-3-hydroxy-3-phenylpropyl]-3-(oxan-4-yl)urea
CID 100676156
N-(2-hydroxy-2-methyl-4-phenylbutyl)-2-methylbenzamide
CID 90498445
1-[(2R)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-(oxan-4-yl)urea
CID 100676004
N-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 94909046
1-(oxan-4-yl)-3-(3-phenyl-2-piperidin-1-ylpropyl)urea
CID 110611113
1-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-3-(oxan-4-yl)urea
CID 124738956
N-[4-(2-phenylethylcarbamoylamino)cyclohexyl]morpholine-4-carboxamide
CID 23766297

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-3-(oxan-4-yl)urea?
The IUPAC name of 1-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-3-(oxan-4-yl)urea (CID 100676097) is 1-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-3-(oxan-4-yl)urea.
What is the SMILES notation for 1-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-3-(oxan-4-yl)urea?
The canonical SMILES for 1-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-3-(oxan-4-yl)urea is C[C@@](O)(CCc1ccccc1)CNC(=O)NC1CCOCC1.
What is the InChIKey of 1-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-3-(oxan-4-yl)urea?
The InChIKey is DLCICTFDKGWGMZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-17(21,10-7-14-5-3-2-4-6-14)13-18-16(20)19-15-8-11-22-12-9-15/h2-6,15,21H,7-13H2,1H3,(H2,18,19,20)/t17-/m1/s1.
What are the key properties of 1-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-3-(oxan-4-yl)urea?
1-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-3-(oxan-4-yl)urea has a molecular weight of 306.41 g/mol, XLogP of 1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-3-(oxan-4-yl)urea is sourced from PubChem (CID 100676097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).