1-[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]-3-(1-methoxy-2-methylpropan-2-yl)urea

C21H28N2O3 — CID 122565965

IUPAC1-[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]-3-(1-methoxy-2-methylpropan-2-yl)urea
SMILESCOCC(C)(C)NC(=O)N[C@H](C)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28N2O3/c1-16(22-19(24)23-20(2,3)15-26-4)21(25,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,25H,15H2,1-4H3,(H2,22,23,24)/t16-/m1/s1
InChIKeyFHDJQAHABDUQFK-MRXNPFEDSA-N
MW356.47 g/mol
LogP3.04
Rot. Bonds7

About 1-[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]-3-(1-methoxy-2-methylpropan-2-yl)urea

1-[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]-3-(1-methoxy-2-methylpropan-2-yl)urea (PubChem CID 122565965) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]-3-(1-methoxy-2-methylpropan-2-yl)urea.

Molecular Properties

Compound Name1-[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]-3-(1-methoxy-2-methylpropan-2-yl)urea
PubChem CID122565965
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name1-[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]-3-(1-methoxy-2-methylpropan-2-yl)urea
SMILESCOCC(C)(C)NC(=O)N[C@H](C)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28N2O3/c1-16(22-19(24)23-20(2,3)15-26-4)21(25,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,25H,15H2,1-4H3,(H2,22,23,24)/t16-/m1/s1
InChIKeyFHDJQAHABDUQFK-MRXNPFEDSA-N
XLogP3.04
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]-3-(1-methoxy-2-methylpropan-2-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

(2S)-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]-2-phenylacetic acid
CID 104899136
1-(1-methoxy-2-methylpropan-2-yl)-3-phenylurea
CID 71878380
2-(methoxymethyl)-3-methyl-2-phenylbutanoyl chloride
CID 87162719
3-hydroxy-4-methoxy-2-methyl-3-phenylbutanoic acid
CID 103465941
1-N,1-N'-bis[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]cyclobutane-1,1-dicarboxamide
CID 66923306
2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]hexanoic acid
CID 113470663
1-[4-[2-(benzylamino)ethyl]cyclohexyl]-3-(1-hydroxy-1,1-diphenylpropan-2-yl)urea
CID 73061113
3-methyl-2-(2-phenylpropan-2-ylcarbamoylamino)butanoic acid
CID 110490526
2-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid
CID 110490509
1-[4-[2-(9H-fluoren-9-ylamino)ethyl]cyclohexyl]-3-[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]urea
CID 11526943
1-[4-[2-[(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]ethyl]cyclohexyl]-3-[(2S)-1-hydroxy-1,1-diphenylpropan-2-yl]urea
CID 11641933
1-ethyl-3-(1-methoxy-2-methylpropan-2-yl)urea
CID 115690657

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]-3-(1-methoxy-2-methylpropan-2-yl)urea?
The IUPAC name of 1-[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]-3-(1-methoxy-2-methylpropan-2-yl)urea (CID 122565965) is 1-[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]-3-(1-methoxy-2-methylpropan-2-yl)urea.
What is the SMILES notation for 1-[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]-3-(1-methoxy-2-methylpropan-2-yl)urea?
The canonical SMILES for 1-[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]-3-(1-methoxy-2-methylpropan-2-yl)urea is COCC(C)(C)NC(=O)N[C@H](C)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]-3-(1-methoxy-2-methylpropan-2-yl)urea?
The InChIKey is FHDJQAHABDUQFK-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-16(22-19(24)23-20(2,3)15-26-4)21(25,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,25H,15H2,1-4H3,(H2,22,23,24)/t16-/m1/s1.
What are the key properties of 1-[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]-3-(1-methoxy-2-methylpropan-2-yl)urea?
1-[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]-3-(1-methoxy-2-methylpropan-2-yl)urea has a molecular weight of 356.47 g/mol, XLogP of 3.04, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]-3-(1-methoxy-2-methylpropan-2-yl)urea is sourced from PubChem (CID 122565965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).