1-[(3R)-3-hydroxy-3-phenylpropyl]-3-(oxan-4-yl)urea

C15H22N2O3 — CID 100676156

IUPAC1-[(3R)-3-hydroxy-3-phenylpropyl]-3-(oxan-4-yl)urea
SMILESO=C(NCC[C@@H](O)c1ccccc1)NC1CCOCC1
InChIInChI=1S/C15H22N2O3/c18-14(12-4-2-1-3-5-12)6-9-16-15(19)17-13-7-10-20-11-8-13/h1-5,13-14,18H,6-11H2,(H2,16,17,19)/t14-/m1/s1
InChIKeyHLMBDQXFVHZWLZ-CQSZACIVSA-N
MW278.35 g/mol
LogP1.59
Rot. Bonds5

About 1-[(3R)-3-hydroxy-3-phenylpropyl]-3-(oxan-4-yl)urea

1-[(3R)-3-hydroxy-3-phenylpropyl]-3-(oxan-4-yl)urea (PubChem CID 100676156) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[(3R)-3-hydroxy-3-phenylpropyl]-3-(oxan-4-yl)urea.

Molecular Properties

Compound Name1-[(3R)-3-hydroxy-3-phenylpropyl]-3-(oxan-4-yl)urea
PubChem CID100676156
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[(3R)-3-hydroxy-3-phenylpropyl]-3-(oxan-4-yl)urea
SMILESO=C(NCC[C@@H](O)c1ccccc1)NC1CCOCC1
InChIInChI=1S/C15H22N2O3/c18-14(12-4-2-1-3-5-12)6-9-16-15(19)17-13-7-10-20-11-8-13/h1-5,13-14,18H,6-11H2,(H2,16,17,19)/t14-/m1/s1
InChIKeyHLMBDQXFVHZWLZ-CQSZACIVSA-N
XLogP1.59
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-(oxan-4-yl)urea
CID 91812855
1-(oxan-4-yl)-3-(4-phenylbutyl)urea
CID 118398503
(2R)-2-(oxan-4-ylcarbamoylamino)-2-phenylacetic acid
CID 61203130
2-(oxan-4-ylcarbamoylamino)-2-phenylacetic acid
CID 61202581
1-(3-amino-3-phenylpropyl)-3-cyclohexylurea
CID 80506800
1-(3-hydroxy-3-phenylpropyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylurea
CID 109396749
1-(3-hydroxy-3-phenylpropyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea
CID 109380484
1-(1,1-dioxothiolan-3-yl)-3-(3,3-diphenylpropyl)urea
CID 47016194
1-cyclohexyl-3-(5-hydroxy-3-phenylpentyl)urea
CID 121112417
N-[(3R)-3-hydroxy-3-phenylpropyl]-4-phenyloxane-4-carboxamide
CID 96568311
1-(2-methyl-3-phenylpropyl)-3-(oxan-4-yl)urea
CID 110608624
2-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-(oxan-4-yl)acetamide
CID 95978154

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-hydroxy-3-phenylpropyl]-3-(oxan-4-yl)urea?
The IUPAC name of 1-[(3R)-3-hydroxy-3-phenylpropyl]-3-(oxan-4-yl)urea (CID 100676156) is 1-[(3R)-3-hydroxy-3-phenylpropyl]-3-(oxan-4-yl)urea.
What is the SMILES notation for 1-[(3R)-3-hydroxy-3-phenylpropyl]-3-(oxan-4-yl)urea?
The canonical SMILES for 1-[(3R)-3-hydroxy-3-phenylpropyl]-3-(oxan-4-yl)urea is O=C(NCC[C@@H](O)c1ccccc1)NC1CCOCC1.
What is the InChIKey of 1-[(3R)-3-hydroxy-3-phenylpropyl]-3-(oxan-4-yl)urea?
The InChIKey is HLMBDQXFVHZWLZ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22N2O3/c18-14(12-4-2-1-3-5-12)6-9-16-15(19)17-13-7-10-20-11-8-13/h1-5,13-14,18H,6-11H2,(H2,16,17,19)/t14-/m1/s1.
What are the key properties of 1-[(3R)-3-hydroxy-3-phenylpropyl]-3-(oxan-4-yl)urea?
1-[(3R)-3-hydroxy-3-phenylpropyl]-3-(oxan-4-yl)urea has a molecular weight of 278.35 g/mol, XLogP of 1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-hydroxy-3-phenylpropyl]-3-(oxan-4-yl)urea is sourced from PubChem (CID 100676156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).