1-(1-hydroxy-2-phenylpropan-2-yl)-3-propylurea

C13H20N2O2 — CID 115635344

IUPAC1-(1-hydroxy-2-phenylpropan-2-yl)-3-propylurea
SMILESCCCNC(=O)NC(C)(CO)c1ccccc1
InChIInChI=1S/C13H20N2O2/c1-3-9-14-12(17)15-13(2,10-16)11-7-5-4-6-8-11/h4-8,16H,3,9-10H2,1-2H3,(H2,14,15,17)
InChIKeyYIDDBMKGJBZTPV-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.60
Rot. Bonds5

About 1-(1-hydroxy-2-phenylpropan-2-yl)-3-propylurea

1-(1-hydroxy-2-phenylpropan-2-yl)-3-propylurea (PubChem CID 115635344) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(1-hydroxy-2-phenylpropan-2-yl)-3-propylurea.

Molecular Properties

Compound Name1-(1-hydroxy-2-phenylpropan-2-yl)-3-propylurea
PubChem CID115635344
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(1-hydroxy-2-phenylpropan-2-yl)-3-propylurea
SMILESCCCNC(=O)NC(C)(CO)c1ccccc1
InChIInChI=1S/C13H20N2O2/c1-3-9-14-12(17)15-13(2,10-16)11-7-5-4-6-8-11/h4-8,16H,3,9-10H2,1-2H3,(H2,14,15,17)
InChIKeyYIDDBMKGJBZTPV-UHFFFAOYSA-N
XLogP1.60
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-hydroxy-2-phenylpropan-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115619743
(1-hydroxy-2-phenylpropan-2-yl)urea
CID 105059189
N-(1-hydroxy-2-phenylpropan-2-yl)propanamide
CID 105058812
ethyl N-(1-hydroxy-2-phenylpropan-2-yl)carbamate
CID 105059191
3,5-diamino-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
CID 105057637
2-amino-2-ethyl-N-(1-hydroxy-2-phenylpropan-2-yl)butanamide
CID 105058275
(2S)-2-amino-N-(1-hydroxy-2-phenylpropan-2-yl)pentanamide
CID 107570839
1-(4-chlorophenyl)-3-(1-hydroxy-2-phenylpropan-2-yl)urea
CID 115621952
2-amino-N-(1-hydroxy-2-phenylpropan-2-yl)pentanamide
CID 105058238
3-amino-N-(1-hydroxy-2-phenylpropan-2-yl)propanamide
CID 105058260
(E)-N-(1-hydroxy-2-phenylpropan-2-yl)but-2-enamide
CID 105057886
3-amino-5-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
CID 105057674

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2-phenylpropan-2-yl)-3-propylurea?
The IUPAC name of 1-(1-hydroxy-2-phenylpropan-2-yl)-3-propylurea (CID 115635344) is 1-(1-hydroxy-2-phenylpropan-2-yl)-3-propylurea.
What is the SMILES notation for 1-(1-hydroxy-2-phenylpropan-2-yl)-3-propylurea?
The canonical SMILES for 1-(1-hydroxy-2-phenylpropan-2-yl)-3-propylurea is CCCNC(=O)NC(C)(CO)c1ccccc1.
What is the InChIKey of 1-(1-hydroxy-2-phenylpropan-2-yl)-3-propylurea?
The InChIKey is YIDDBMKGJBZTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-9-14-12(17)15-13(2,10-16)11-7-5-4-6-8-11/h4-8,16H,3,9-10H2,1-2H3,(H2,14,15,17).
What are the key properties of 1-(1-hydroxy-2-phenylpropan-2-yl)-3-propylurea?
1-(1-hydroxy-2-phenylpropan-2-yl)-3-propylurea has a molecular weight of 236.31 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2-phenylpropan-2-yl)-3-propylurea is sourced from PubChem (CID 115635344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).