1-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-[(2-methylphenyl)methyl]urea

C20H26N2O3 — CID 111422863

IUPAC1-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-[(2-methylphenyl)methyl]urea
SMILESCc1ccccc1CNC(=O)NCC(O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C20H26N2O3/c1-14(2)25-18-10-8-16(9-11-18)19(23)13-22-20(24)21-12-17-7-5-4-6-15(17)3/h4-11,14,19,23H,12-13H2,1-3H3,(H2,21,22,24)
InChIKeyFWNTYXWWRTWLQU-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.32
Rot. Bonds7

About 1-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-[(2-methylphenyl)methyl]urea

1-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-[(2-methylphenyl)methyl]urea (PubChem CID 111422863) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-[(2-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-[(2-methylphenyl)methyl]urea
PubChem CID111422863
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-[(2-methylphenyl)methyl]urea
SMILESCc1ccccc1CNC(=O)NCC(O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C20H26N2O3/c1-14(2)25-18-10-8-16(9-11-18)19(23)13-22-20(24)21-12-17-7-5-4-6-15(17)3/h4-11,14,19,23H,12-13H2,1-3H3,(H2,21,22,24)
InChIKeyFWNTYXWWRTWLQU-UHFFFAOYSA-N
XLogP3.32
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride
CID 119328695
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[(2-methylphenyl)methyl]urea
CID 111454036
2-hydroxy-3-[(2-methylphenyl)methylcarbamoylamino]propanoic acid
CID 66167152
3-(2-aminophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride
CID 120610983
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methyl-3-(4-methylphenyl)propanamide
CID 139000342
2-(4-methylphenoxy)-N-[(2-methylphenyl)methyl]propanamide
CID 46807295
2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide;hydrochloride
CID 119328681
1-[(2-methylphenyl)methyl]-3-(4-propan-2-yloxyphenyl)thiourea
CID 100590551
(2R)-N-[(2-methylphenyl)methyl]-2-phenoxypropanamide
CID 41013253
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-thiophen-2-ylpropanamide
CID 111437274
5-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methylbenzamide;hydrochloride
CID 120634228
1-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 111423659

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-[(2-methylphenyl)methyl]urea?
The IUPAC name of 1-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-[(2-methylphenyl)methyl]urea (CID 111422863) is 1-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-[(2-methylphenyl)methyl]urea.
What is the SMILES notation for 1-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-[(2-methylphenyl)methyl]urea?
The canonical SMILES for 1-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-[(2-methylphenyl)methyl]urea is Cc1ccccc1CNC(=O)NCC(O)c1ccc(OC(C)C)cc1.
What is the InChIKey of 1-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-[(2-methylphenyl)methyl]urea?
The InChIKey is FWNTYXWWRTWLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-14(2)25-18-10-8-16(9-11-18)19(23)13-22-20(24)21-12-17-7-5-4-6-15(17)3/h4-11,14,19,23H,12-13H2,1-3H3,(H2,21,22,24).
What are the key properties of 1-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-[(2-methylphenyl)methyl]urea?
1-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-[(2-methylphenyl)methyl]urea has a molecular weight of 342.44 g/mol, XLogP of 3.32, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-[(2-methylphenyl)methyl]urea is sourced from PubChem (CID 111422863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).