1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea

C19H24N2O3 — CID 22088923

IUPAC1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
SMILESO=C(NC(CO)Cc1ccccc1)NC(CO)Cc1ccccc1
InChIInChI=1S/C19H24N2O3/c22-13-17(11-15-7-3-1-4-8-15)20-19(24)21-18(14-23)12-16-9-5-2-6-10-16/h1-10,17-18,22-23H,11-14H2,(H2,20,21,24)
InChIKeyXOXXRWKSAKHXHV-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.49
Rot. Bonds8

About 1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea

1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea (PubChem CID 22088923) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea.

Molecular Properties

Compound Name1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
PubChem CID22088923
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
SMILESO=C(NC(CO)Cc1ccccc1)NC(CO)Cc1ccccc1
InChIInChI=1S/C19H24N2O3/c22-13-17(11-15-7-3-1-4-8-15)20-19(24)21-18(14-23)12-16-9-5-2-6-10-16/h1-10,17-18,22-23H,11-14H2,(H2,20,21,24)
InChIKeyXOXXRWKSAKHXHV-UHFFFAOYSA-N
XLogP1.49
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316
N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
1-but-2-ynyl-3-(1-hydroxy-3-phenylpropan-2-yl)urea
CID 84597423
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(2-methylprop-2-enyl)urea
CID 91650522
(E)-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-4-oxobut-2-enoic acid
CID 102096307
(3R)-3-amino-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
CID 18341314
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea
CID 94755950
1,3-bis[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]urea
CID 124628917
1-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]urea
CID 124628915
2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 42364147
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxyacetamide
CID 101173549

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea?
The IUPAC name of 1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea (CID 22088923) is 1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea.
What is the SMILES notation for 1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea?
The canonical SMILES for 1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea is O=C(NC(CO)Cc1ccccc1)NC(CO)Cc1ccccc1.
What is the InChIKey of 1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea?
The InChIKey is XOXXRWKSAKHXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c22-13-17(11-15-7-3-1-4-8-15)20-19(24)21-18(14-23)12-16-9-5-2-6-10-16/h1-10,17-18,22-23H,11-14H2,(H2,20,21,24).
What are the key properties of 1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea?
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea has a molecular weight of 328.41 g/mol, XLogP of 1.49, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea is sourced from PubChem (CID 22088923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).