1,1-diethyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea

C13H20N2O2 — CID 103837096

IUPAC1,1-diethyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea
SMILESCCN(CC)C(=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C13H20N2O2/c1-3-15(4-2)13(17)14-12(10-16)11-8-6-5-7-9-11/h5-9,12,16H,3-4,10H2,1-2H3,(H,14,17)/t12-/m0/s1
InChIKeyDXOKXHCZMZUPOX-LBPRGKRZSA-N
MW236.31 g/mol
LogP1.77
Rot. Bonds5

About 1,1-diethyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea

1,1-diethyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea (PubChem CID 103837096) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1,1-diethyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea.

Molecular Properties

Compound Name1,1-diethyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea
PubChem CID103837096
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1,1-diethyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea
SMILESCCN(CC)C(=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C13H20N2O2/c1-3-15(4-2)13(17)14-12(10-16)11-8-6-5-7-9-11/h5-9,12,16H,3-4,10H2,1-2H3,(H,14,17)/t12-/m0/s1
InChIKeyDXOKXHCZMZUPOX-LBPRGKRZSA-N
XLogP1.77
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-bis(2-hydroxyethyl)-3-(1-phenylpropyl)urea
CID 173326019
3-[ethyl(1-phenylpropylcarbamoyl)amino]-2-methylpropanoic acid
CID 62854117
N-(2-hydroxy-1-phenylethyl)butanamide
CID 63184192
ethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate
CID 7023599
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylsulfanylacetamide
CID 103944553
1-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylurea
CID 103763270
[(1S)-1-(diethylsulfamoylamino)-2-hydroxyethyl]benzene
CID 103825683
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
2-amino-N-(2-hydroxy-1-phenylethyl)propanamide
CID 63183565
2-ethoxy-N-(2-hydroxy-1-phenylethyl)acetamide
CID 63184517
2-ethoxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 103944946
3-acetamido-N,N-diethyl-3-phenylpropanamide
CID 78777211

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea?
The IUPAC name of 1,1-diethyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea (CID 103837096) is 1,1-diethyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea.
What is the SMILES notation for 1,1-diethyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea?
The canonical SMILES for 1,1-diethyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea is CCN(CC)C(=O)N[C@@H](CO)c1ccccc1.
What is the InChIKey of 1,1-diethyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea?
The InChIKey is DXOKXHCZMZUPOX-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-15(4-2)13(17)14-12(10-16)11-8-6-5-7-9-11/h5-9,12,16H,3-4,10H2,1-2H3,(H,14,17)/t12-/m0/s1.
What are the key properties of 1,1-diethyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea?
1,1-diethyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea has a molecular weight of 236.31 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea is sourced from PubChem (CID 103837096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).