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

C14H22N2O2 — CID 111119518

IUPAC1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylpropyl)urea
SMILESCc1ccccc1C(O)CNC(=O)NCC(C)C
InChIInChI=1S/C14H22N2O2/c1-10(2)8-15-14(18)16-9-13(17)12-7-5-4-6-11(12)3/h4-7,10,13,17H,8-9H2,1-3H3,(H2,15,16,18)
InChIKeyZXNWCSMIBAPYMR-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.98
Rot. Bonds5

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

1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylpropyl)urea (PubChem CID 111119518) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylpropyl)urea
PubChem CID111119518
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylpropyl)urea
SMILESCc1ccccc1C(O)CNC(=O)NCC(C)C
InChIInChI=1S/C14H22N2O2/c1-10(2)8-15-14(18)16-9-13(17)12-7-5-4-6-11(12)3/h4-7,10,13,17H,8-9H2,1-3H3,(H2,15,16,18)
InChIKeyZXNWCSMIBAPYMR-UHFFFAOYSA-N
XLogP1.98
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-methylpentanamide
CID 111119754
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1-phenylethyl)urea
CID 111119523
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(3-methylpentan-2-yl)urea
CID 111119587
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 111119591
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(methylamino)acetamide
CID 119784439
N-[2-hydroxy-2-(2-methylphenyl)ethyl]prop-2-enamide
CID 166405126
(2S)-2-amino-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-methylbutanamide;hydrochloride
CID 119324131
(2R)-N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-2-methyl-3-methylsulfanylpropanamide
CID 96530841
1,1-diethyl-3-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]urea
CID 97239385
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylcyclopropyl)urea
CID 111119604
1-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2-methylfuran-3-yl)methyl]urea
CID 96530805
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(3-methylbutylsulfanyl)acetamide
CID 111119954

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylpropyl)urea?
The IUPAC name of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylpropyl)urea (CID 111119518) is 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylpropyl)urea?
The canonical SMILES for 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylpropyl)urea is Cc1ccccc1C(O)CNC(=O)NCC(C)C.
What is the InChIKey of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylpropyl)urea?
The InChIKey is ZXNWCSMIBAPYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)8-15-14(18)16-9-13(17)12-7-5-4-6-11(12)3/h4-7,10,13,17H,8-9H2,1-3H3,(H2,15,16,18).
What are the key properties of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylpropyl)urea?
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylpropyl)urea has a molecular weight of 250.34 g/mol, XLogP of 1.98, 5 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-(2-methylpropyl)urea is sourced from PubChem (CID 111119518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).