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

C14H22N2O2 — CID 97239385

IUPAC1,1-diethyl-3-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]urea
SMILESCCN(CC)C(=O)NC[C@H](O)c1ccccc1C
InChIInChI=1S/C14H22N2O2/c1-4-16(5-2)14(18)15-10-13(17)12-9-7-6-8-11(12)3/h6-9,13,17H,4-5,10H2,1-3H3,(H,15,18)/t13-/m0/s1
InChIKeyKTWOBGDUQIAGEI-ZDUSSCGKSA-N
MW250.34 g/mol
LogP2.08
Rot. Bonds5

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

1,1-diethyl-3-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]urea (PubChem CID 97239385) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1,1-diethyl-3-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1,1-diethyl-3-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]urea
PubChem CID97239385
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1,1-diethyl-3-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]urea
SMILESCCN(CC)C(=O)NC[C@H](O)c1ccccc1C
InChIInChI=1S/C14H22N2O2/c1-4-16(5-2)14(18)15-10-13(17)12-9-7-6-8-11(12)3/h6-9,13,17H,4-5,10H2,1-3H3,(H,15,18)/t13-/m0/s1
InChIKeyKTWOBGDUQIAGEI-ZDUSSCGKSA-N
XLogP2.08
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylpropyl)urea
CID 111119518
1,1-diethyl-3-[2-(2-methylphenyl)-3-pyridin-3-ylpropyl]urea
CID 110361075
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(methylamino)acetamide
CID 119784439
N-[2-hydroxy-2-(2-methylphenyl)ethyl]prop-2-enamide
CID 166405126
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-methylpentanamide
CID 111119754
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(3-methylpentan-2-yl)urea
CID 111119587
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-methylthiophene-2-carboxamide
CID 111119709
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3,5-dimethylbenzamide
CID 111119847
benzyl N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]carbamate
CID 124679296
2-(methylamino)-1-(2-methylphenyl)ethanol
CID 14888492
N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-phenylprop-2-ynamide
CID 97072671
(2R)-N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-2-methyl-3-methylsulfanylpropanamide
CID 96530841

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]urea?
The IUPAC name of 1,1-diethyl-3-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]urea (CID 97239385) is 1,1-diethyl-3-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]urea.
What is the SMILES notation for 1,1-diethyl-3-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]urea?
The canonical SMILES for 1,1-diethyl-3-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]urea is CCN(CC)C(=O)NC[C@H](O)c1ccccc1C.
What is the InChIKey of 1,1-diethyl-3-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]urea?
The InChIKey is KTWOBGDUQIAGEI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-16(5-2)14(18)15-10-13(17)12-9-7-6-8-11(12)3/h6-9,13,17H,4-5,10H2,1-3H3,(H,15,18)/t13-/m0/s1.
What are the key properties of 1,1-diethyl-3-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]urea?
1,1-diethyl-3-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]urea has a molecular weight of 250.34 g/mol, XLogP of 2.08, 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-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]urea is sourced from PubChem (CID 97239385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).