1-(3,4-dimethylphenyl)-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea

C21H22N2O2 — CID 90497477

IUPAC1-(3,4-dimethylphenyl)-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea
SMILESCc1ccc(NC(=O)NCC(O)c2cccc3ccccc23)cc1C
InChIInChI=1S/C21H22N2O2/c1-14-10-11-17(12-15(14)2)23-21(25)22-13-20(24)19-9-5-7-16-6-3-4-8-18(16)19/h3-12,20,24H,13H2,1-2H3,(H2,22,23,25)
InChIKeyFFKJYRUEZFRFMO-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.31
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea

1-(3,4-dimethylphenyl)-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea (PubChem CID 90497477) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea
PubChem CID90497477
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name1-(3,4-dimethylphenyl)-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea
SMILESCc1ccc(NC(=O)NCC(O)c2cccc3ccccc23)cc1C
InChIInChI=1S/C21H22N2O2/c1-14-10-11-17(12-15(14)2)23-21(25)22-13-20(24)19-9-5-7-16-6-3-4-8-18(16)19/h3-12,20,24H,13H2,1-2H3,(H2,22,23,25)
InChIKeyFFKJYRUEZFRFMO-UHFFFAOYSA-N
XLogP4.31
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 51944062
N'-(3,4-dimethoxyphenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide
CID 90497468
N'-(4-acetamidophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide
CID 90497463
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(3-methylsulfanylphenyl)urea
CID 111120381
1-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-3-thiophen-2-ylurea
CID 95367303
5-(benzylcarbamoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231845
1-(3,4-dimethylphenyl)-3-(2-phenylethyl)urea
CID 6470547
1-benzhydryl-3-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]urea
CID 95367329
1-(3,4-dimethylphenyl)-3-naphthalen-2-ylurea
CID 108894077
N-(3,4-dimethylphenyl)-N'-naphthalen-1-yloxamide
CID 108523122
1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-methylphenyl)urea
CID 51939745
1-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methyl]urea
CID 47192342

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea (CID 90497477) is 1-(3,4-dimethylphenyl)-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea is Cc1ccc(NC(=O)NCC(O)c2cccc3ccccc23)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea?
The InChIKey is FFKJYRUEZFRFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-14-10-11-17(12-15(14)2)23-21(25)22-13-20(24)19-9-5-7-16-6-3-4-8-18(16)19/h3-12,20,24H,13H2,1-2H3,(H2,22,23,25).
What are the key properties of 1-(3,4-dimethylphenyl)-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea?
1-(3,4-dimethylphenyl)-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea has a molecular weight of 334.42 g/mol, XLogP of 4.31, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea is sourced from PubChem (CID 90497477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).