1-[(1S)-2-hydroxy-1-phenylethyl]-3-[1-(oxolan-3-yl)ethyl]urea

C15H22N2O3 — CID 75517864

IUPAC1-[(1S)-2-hydroxy-1-phenylethyl]-3-[1-(oxolan-3-yl)ethyl]urea
SMILESCC(NC(=O)N[C@H](CO)c1ccccc1)C1CCOC1
InChIInChI=1S/C15H22N2O3/c1-11(13-7-8-20-10-13)16-15(19)17-14(9-18)12-5-3-2-4-6-12/h2-6,11,13-14,18H,7-10H2,1H3,(H2,16,17,19)/t11?,13?,14-/m1/s1
InChIKeyRWXNQJMDNOCEOH-UXUKBGGZSA-N
MW278.35 g/mol
LogP1.44
Rot. Bonds5

About 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[1-(oxolan-3-yl)ethyl]urea

1-[(1S)-2-hydroxy-1-phenylethyl]-3-[1-(oxolan-3-yl)ethyl]urea (PubChem CID 75517864) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[1-(oxolan-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(1S)-2-hydroxy-1-phenylethyl]-3-[1-(oxolan-3-yl)ethyl]urea
PubChem CID75517864
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[(1S)-2-hydroxy-1-phenylethyl]-3-[1-(oxolan-3-yl)ethyl]urea
SMILESCC(NC(=O)N[C@H](CO)c1ccccc1)C1CCOC1
InChIInChI=1S/C15H22N2O3/c1-11(13-7-8-20-10-13)16-15(19)17-14(9-18)12-5-3-2-4-6-12/h2-6,11,13-14,18H,7-10H2,1H3,(H2,16,17,19)/t11?,13?,14-/m1/s1
InChIKeyRWXNQJMDNOCEOH-UXUKBGGZSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S)-1-[(3S)-oxolan-3-yl]ethyl]urea
CID 99698082
1-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylurea
CID 103763270
1-(1-cyclobutylethyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 109499744
(2S)-4-hydroxy-2-[1-(oxolan-3-yl)ethylcarbamoylamino]butanoic acid
CID 107829262
4-(1-cyclopropylethylcarbamoylamino)-4-phenylbutanoic acid
CID 61197747
N-[(1S)-2-hydroxy-1-phenylethyl]-2,2-dimethyl-3-(oxan-4-yl)propanamide
CID 110001751
3-cyclopropyl-2-[1-(oxolan-3-yl)ethylcarbamoylamino]propanoic acid
CID 114189004
4-[1-(oxolan-3-yl)ethylcarbamoyl]benzoic acid
CID 113263166
1-[(1S)-2-hydroxy-1-phenylethyl]-3-(1-methylsulfanylpropan-2-yl)urea
CID 75517861
N-[(1S)-2-hydroxy-1-phenylethyl]morpholine-3-carboxamide
CID 107862923
3-[[(1R)-1-[(3R)-oxolan-3-yl]ethyl]carbamoyl]benzoic acid
CID 124595766
2-[1-(oxolan-3-yl)ethylamino]-N-phenylacetamide
CID 115713791

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[1-(oxolan-3-yl)ethyl]urea?
The IUPAC name of 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[1-(oxolan-3-yl)ethyl]urea (CID 75517864) is 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[1-(oxolan-3-yl)ethyl]urea.
What is the SMILES notation for 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[1-(oxolan-3-yl)ethyl]urea?
The canonical SMILES for 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[1-(oxolan-3-yl)ethyl]urea is CC(NC(=O)N[C@H](CO)c1ccccc1)C1CCOC1.
What is the InChIKey of 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[1-(oxolan-3-yl)ethyl]urea?
The InChIKey is RWXNQJMDNOCEOH-UXUKBGGZSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(13-7-8-20-10-13)16-15(19)17-14(9-18)12-5-3-2-4-6-12/h2-6,11,13-14,18H,7-10H2,1H3,(H2,16,17,19)/t11?,13?,14-/m1/s1.
What are the key properties of 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[1-(oxolan-3-yl)ethyl]urea?
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[1-(oxolan-3-yl)ethyl]urea has a molecular weight of 278.35 g/mol, XLogP of 1.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[1-(oxolan-3-yl)ethyl]urea is sourced from PubChem (CID 75517864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).