1-(2-hydroxyethyl)-1-methyl-3-(4-methyl-2-phenylmethoxyphenyl)urea

C18H22N2O3 — CID 111431455

IUPAC1-(2-hydroxyethyl)-1-methyl-3-(4-methyl-2-phenylmethoxyphenyl)urea
SMILESCc1ccc(NC(=O)N(C)CCO)c(OCc2ccccc2)c1
InChIInChI=1S/C18H22N2O3/c1-14-8-9-16(19-18(22)20(2)10-11-21)17(12-14)23-13-15-6-4-3-5-7-15/h3-9,12,21H,10-11,13H2,1-2H3,(H,19,22)
InChIKeyFCASDKZJLXBRKO-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.03
Rot. Bonds6

About 1-(2-hydroxyethyl)-1-methyl-3-(4-methyl-2-phenylmethoxyphenyl)urea

1-(2-hydroxyethyl)-1-methyl-3-(4-methyl-2-phenylmethoxyphenyl)urea (PubChem CID 111431455) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-1-methyl-3-(4-methyl-2-phenylmethoxyphenyl)urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-1-methyl-3-(4-methyl-2-phenylmethoxyphenyl)urea
PubChem CID111431455
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name1-(2-hydroxyethyl)-1-methyl-3-(4-methyl-2-phenylmethoxyphenyl)urea
SMILESCc1ccc(NC(=O)N(C)CCO)c(OCc2ccccc2)c1
InChIInChI=1S/C18H22N2O3/c1-14-8-9-16(19-18(22)20(2)10-11-21)17(12-14)23-13-15-6-4-3-5-7-15/h3-9,12,21H,10-11,13H2,1-2H3,(H,19,22)
InChIKeyFCASDKZJLXBRKO-UHFFFAOYSA-N
XLogP3.03
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methyl-2-phenylmethoxyphenyl)acetamide
CID 47311961
1-(2-hydroxyethyl)-1-methyl-3-[2-(2-phenylethoxy)phenyl]urea
CID 111431297
1-(2-hydroxyethyl)-1-methyl-3-[2-(4-methylphenoxy)phenyl]urea
CID 111105100
N-chloro-4-methyl-2-phenylmethoxyaniline
CID 87749280
2,5-dichloro-N-(4-methyl-2-phenylmethoxyphenyl)thiophene-3-carboxamide
CID 55888940
2-(2-methoxyethylamino)-N-(4-methyl-2-phenylmethoxyphenyl)acetamide
CID 119726802
1-(2-hydroxycyclohexyl)-3-(4-methyl-2-phenylmethoxyphenyl)urea
CID 56518924
N'-benzyl-N-(2-ethoxy-4-methylphenyl)-N'-methyloxamide
CID 87039915
4-amino-3-methoxy-N-(4-methyl-2-phenylmethoxyphenyl)butanamide
CID 120588954
N-(4-methyl-2-phenylmethoxyphenyl)-4-nitrobenzamide
CID 22010922
3-methyl-N-(4-methyl-2-phenylmethoxyphenyl)pyrrolidine-1-carboxamide
CID 86877135
2-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]-5-methylphenoxy]-N,N-dimethylacetamide
CID 60577692

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-1-methyl-3-(4-methyl-2-phenylmethoxyphenyl)urea?
The IUPAC name of 1-(2-hydroxyethyl)-1-methyl-3-(4-methyl-2-phenylmethoxyphenyl)urea (CID 111431455) is 1-(2-hydroxyethyl)-1-methyl-3-(4-methyl-2-phenylmethoxyphenyl)urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-1-methyl-3-(4-methyl-2-phenylmethoxyphenyl)urea?
The canonical SMILES for 1-(2-hydroxyethyl)-1-methyl-3-(4-methyl-2-phenylmethoxyphenyl)urea is Cc1ccc(NC(=O)N(C)CCO)c(OCc2ccccc2)c1.
What is the InChIKey of 1-(2-hydroxyethyl)-1-methyl-3-(4-methyl-2-phenylmethoxyphenyl)urea?
The InChIKey is FCASDKZJLXBRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-14-8-9-16(19-18(22)20(2)10-11-21)17(12-14)23-13-15-6-4-3-5-7-15/h3-9,12,21H,10-11,13H2,1-2H3,(H,19,22).
What are the key properties of 1-(2-hydroxyethyl)-1-methyl-3-(4-methyl-2-phenylmethoxyphenyl)urea?
1-(2-hydroxyethyl)-1-methyl-3-(4-methyl-2-phenylmethoxyphenyl)urea has a molecular weight of 314.38 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-1-methyl-3-(4-methyl-2-phenylmethoxyphenyl)urea is sourced from PubChem (CID 111431455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).