1-[1-hydroxy-3-(oxolan-3-yl)propan-2-yl]-3-(4-hydroxy-2-phenylpentyl)urea

C19H30N2O4 — CID 166322531

IUPAC1-[1-hydroxy-3-(oxolan-3-yl)propan-2-yl]-3-(4-hydroxy-2-phenylpentyl)urea
SMILESCC(O)CC(CNC(=O)NC(CO)CC1CCOC1)c1ccccc1
InChIInChI=1S/C19H30N2O4/c1-14(23)9-17(16-5-3-2-4-6-16)11-20-19(24)21-18(12-22)10-15-7-8-25-13-15/h2-6,14-15,17-18,22-23H,7-13H2,1H3,(H2,20,21,24)
InChIKeyGJCAFOZNYUFTJE-UHFFFAOYSA-N
MW350.46 g/mol
LogP1.63
Rot. Bonds9

About 1-[1-hydroxy-3-(oxolan-3-yl)propan-2-yl]-3-(4-hydroxy-2-phenylpentyl)urea

1-[1-hydroxy-3-(oxolan-3-yl)propan-2-yl]-3-(4-hydroxy-2-phenylpentyl)urea (PubChem CID 166322531) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-[1-hydroxy-3-(oxolan-3-yl)propan-2-yl]-3-(4-hydroxy-2-phenylpentyl)urea.

Molecular Properties

Compound Name1-[1-hydroxy-3-(oxolan-3-yl)propan-2-yl]-3-(4-hydroxy-2-phenylpentyl)urea
PubChem CID166322531
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Name1-[1-hydroxy-3-(oxolan-3-yl)propan-2-yl]-3-(4-hydroxy-2-phenylpentyl)urea
SMILESCC(O)CC(CNC(=O)NC(CO)CC1CCOC1)c1ccccc1
InChIInChI=1S/C19H30N2O4/c1-14(23)9-17(16-5-3-2-4-6-16)11-20-19(24)21-18(12-22)10-15-7-8-25-13-15/h2-6,14-15,17-18,22-23H,7-13H2,1H3,(H2,20,21,24)
InChIKeyGJCAFOZNYUFTJE-UHFFFAOYSA-N
XLogP1.63
TPSA90.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-hydroxy-3-(oxolan-3-yl)propan-2-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 155958813
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S)-1-[(3S)-oxolan-3-yl]ethyl]urea
CID 99698082
N-(4-hydroxy-2-phenylpentyl)-3-oxocyclobutane-1-carboxamide
CID 110004037
5-(cyclobutylamino)-4-phenylpentan-2-ol
CID 110021962
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[1-(oxolan-3-yl)ethyl]urea
CID 75517864
3-amino-N-(4-hydroxy-2-phenylpentyl)cyclohexane-1-carboxamide
CID 119821976
1-[3-(1-hydroxyethyl)phenyl]-3-(oxolan-3-ylmethyl)urea
CID 62824753
1-[(2R)-2-cyclopentyl-2-phenylethyl]-3-(1,3-dihydroxypropan-2-yl)urea
CID 125444168
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(1R)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]urea
CID 97240996
tert-butyl N-[(2S,4R)-4-hydroxy-2-phenylpentyl]carbamate
CID 97086612
(2S)-2-[[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]amino]-N-phenylpropanamide
CID 124624923
4-amino-N-(4-hydroxy-2-phenylpentyl)pentanamide
CID 120564094

Frequently Asked Questions

What is the IUPAC name of 1-[1-hydroxy-3-(oxolan-3-yl)propan-2-yl]-3-(4-hydroxy-2-phenylpentyl)urea?
The IUPAC name of 1-[1-hydroxy-3-(oxolan-3-yl)propan-2-yl]-3-(4-hydroxy-2-phenylpentyl)urea (CID 166322531) is 1-[1-hydroxy-3-(oxolan-3-yl)propan-2-yl]-3-(4-hydroxy-2-phenylpentyl)urea.
What is the SMILES notation for 1-[1-hydroxy-3-(oxolan-3-yl)propan-2-yl]-3-(4-hydroxy-2-phenylpentyl)urea?
The canonical SMILES for 1-[1-hydroxy-3-(oxolan-3-yl)propan-2-yl]-3-(4-hydroxy-2-phenylpentyl)urea is CC(O)CC(CNC(=O)NC(CO)CC1CCOC1)c1ccccc1.
What is the InChIKey of 1-[1-hydroxy-3-(oxolan-3-yl)propan-2-yl]-3-(4-hydroxy-2-phenylpentyl)urea?
The InChIKey is GJCAFOZNYUFTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-14(23)9-17(16-5-3-2-4-6-16)11-20-19(24)21-18(12-22)10-15-7-8-25-13-15/h2-6,14-15,17-18,22-23H,7-13H2,1H3,(H2,20,21,24).
What are the key properties of 1-[1-hydroxy-3-(oxolan-3-yl)propan-2-yl]-3-(4-hydroxy-2-phenylpentyl)urea?
1-[1-hydroxy-3-(oxolan-3-yl)propan-2-yl]-3-(4-hydroxy-2-phenylpentyl)urea has a molecular weight of 350.46 g/mol, XLogP of 1.63, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-hydroxy-3-(oxolan-3-yl)propan-2-yl]-3-(4-hydroxy-2-phenylpentyl)urea is sourced from PubChem (CID 166322531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).