1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(3-methylpentan-2-yl)urea

C16H26N2O2 — CID 111119587

IUPAC1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(3-methylpentan-2-yl)urea
SMILESCCC(C)C(C)NC(=O)NCC(O)c1ccccc1C
InChIInChI=1S/C16H26N2O2/c1-5-11(2)13(4)18-16(20)17-10-15(19)14-9-7-6-8-12(14)3/h6-9,11,13,15,19H,5,10H2,1-4H3,(H2,17,18,20)
InChIKeyHEMZGTSWTKQMLT-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.76
Rot. Bonds6

About 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(3-methylpentan-2-yl)urea

1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(3-methylpentan-2-yl)urea (PubChem CID 111119587) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(3-methylpentan-2-yl)urea.

Molecular Properties

Compound Name1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(3-methylpentan-2-yl)urea
PubChem CID111119587
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(3-methylpentan-2-yl)urea
SMILESCCC(C)C(C)NC(=O)NCC(O)c1ccccc1C
InChIInChI=1S/C16H26N2O2/c1-5-11(2)13(4)18-16(20)17-10-15(19)14-9-7-6-8-12(14)3/h6-9,11,13,15,19H,5,10H2,1-4H3,(H2,17,18,20)
InChIKeyHEMZGTSWTKQMLT-UHFFFAOYSA-N
XLogP2.76
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylpropyl)urea
CID 111119518
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1-phenylethyl)urea
CID 111119523
1-(4-ethylsulfanylbutan-2-yl)-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea
CID 111483088
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-methylpentanamide
CID 111119754
1,1-diethyl-3-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]urea
CID 97239385
benzyl N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]carbamate
CID 124679296
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 111119603
N-[2-hydroxy-2-(2-methylphenyl)ethyl]prop-2-enamide
CID 166405126
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(methylamino)acetamide
CID 119784439
(2R)-N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-2-methyl-3-methylsulfanylpropanamide
CID 96530841
(2S)-2-amino-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-methylbutanamide;hydrochloride
CID 119324131
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-propylphenyl)urea
CID 111120539

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(3-methylpentan-2-yl)urea?
The IUPAC name of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(3-methylpentan-2-yl)urea (CID 111119587) is 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(3-methylpentan-2-yl)urea.
What is the SMILES notation for 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(3-methylpentan-2-yl)urea?
The canonical SMILES for 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(3-methylpentan-2-yl)urea is CCC(C)C(C)NC(=O)NCC(O)c1ccccc1C.
What is the InChIKey of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(3-methylpentan-2-yl)urea?
The InChIKey is HEMZGTSWTKQMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-11(2)13(4)18-16(20)17-10-15(19)14-9-7-6-8-12(14)3/h6-9,11,13,15,19H,5,10H2,1-4H3,(H2,17,18,20).
What are the key properties of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(3-methylpentan-2-yl)urea?
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(3-methylpentan-2-yl)urea has a molecular weight of 278.40 g/mol, XLogP of 2.76, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(3-methylpentan-2-yl)urea is sourced from PubChem (CID 111119587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).