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

C21H26N2O3 — CID 56518924

IUPAC1-(2-hydroxycyclohexyl)-3-(4-methyl-2-phenylmethoxyphenyl)urea
SMILESCc1ccc(NC(=O)NC2CCCCC2O)c(OCc2ccccc2)c1
InChIInChI=1S/C21H26N2O3/c1-15-11-12-18(20(13-15)26-14-16-7-3-2-4-8-16)23-21(25)22-17-9-5-6-10-19(17)24/h2-4,7-8,11-13,17,19,24H,5-6,9-10,14H2,1H3,(H2,22,23,25)
InChIKeyQLNBBRUMQYXBPC-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.00
Rot. Bonds5

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

1-(2-hydroxycyclohexyl)-3-(4-methyl-2-phenylmethoxyphenyl)urea (PubChem CID 56518924) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-(2-hydroxycyclohexyl)-3-(4-methyl-2-phenylmethoxyphenyl)urea.

Molecular Properties

Compound Name1-(2-hydroxycyclohexyl)-3-(4-methyl-2-phenylmethoxyphenyl)urea
PubChem CID56518924
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name1-(2-hydroxycyclohexyl)-3-(4-methyl-2-phenylmethoxyphenyl)urea
SMILESCc1ccc(NC(=O)NC2CCCCC2O)c(OCc2ccccc2)c1
InChIInChI=1S/C21H26N2O3/c1-15-11-12-18(20(13-15)26-14-16-7-3-2-4-8-16)23-21(25)22-17-9-5-6-10-19(17)24/h2-4,7-8,11-13,17,19,24H,5-6,9-10,14H2,1H3,(H2,22,23,25)
InChIKeyQLNBBRUMQYXBPC-UHFFFAOYSA-N
XLogP4.00
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methyl-2-phenylmethoxyphenyl)acetamide
CID 47311961
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(4-methyl-2-phenylmethoxyphenyl)acetamide
CID 60536113
1-(2,5-dimethylphenyl)-3-(2-hydroxycyclohexyl)urea
CID 75948752
3-methyl-N-(4-methyl-2-phenylmethoxyphenyl)pyrrolidine-1-carboxamide
CID 86877135
1-(2-hydroxyethyl)-1-methyl-3-(4-methyl-2-phenylmethoxyphenyl)urea
CID 111431455
3-(hydroxymethyl)-N-(4-methyl-2-phenylmethoxyphenyl)pyrrolidine-1-carboxamide
CID 111443143
N-[3-[[(4-methyl-2-phenylmethoxyphenyl)carbamoylamino]methyl]phenyl]acetamide
CID 55835052
1-(2-hydroxycyclohexyl)-3-(2-propan-2-yloxyphenyl)urea
CID 110933007
1-(4-ethoxy-2-methylphenyl)-3-(2-hydroxycyclohexyl)urea
CID 110933023
4-[(2-ethoxy-4-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122076839
N-(4-methyl-2-phenylmethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119726785
N-chloro-4-methyl-2-phenylmethoxyaniline
CID 87749280

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxycyclohexyl)-3-(4-methyl-2-phenylmethoxyphenyl)urea?
The IUPAC name of 1-(2-hydroxycyclohexyl)-3-(4-methyl-2-phenylmethoxyphenyl)urea (CID 56518924) is 1-(2-hydroxycyclohexyl)-3-(4-methyl-2-phenylmethoxyphenyl)urea.
What is the SMILES notation for 1-(2-hydroxycyclohexyl)-3-(4-methyl-2-phenylmethoxyphenyl)urea?
The canonical SMILES for 1-(2-hydroxycyclohexyl)-3-(4-methyl-2-phenylmethoxyphenyl)urea is Cc1ccc(NC(=O)NC2CCCCC2O)c(OCc2ccccc2)c1.
What is the InChIKey of 1-(2-hydroxycyclohexyl)-3-(4-methyl-2-phenylmethoxyphenyl)urea?
The InChIKey is QLNBBRUMQYXBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15-11-12-18(20(13-15)26-14-16-7-3-2-4-8-16)23-21(25)22-17-9-5-6-10-19(17)24/h2-4,7-8,11-13,17,19,24H,5-6,9-10,14H2,1H3,(H2,22,23,25).
What are the key properties of 1-(2-hydroxycyclohexyl)-3-(4-methyl-2-phenylmethoxyphenyl)urea?
1-(2-hydroxycyclohexyl)-3-(4-methyl-2-phenylmethoxyphenyl)urea has a molecular weight of 354.45 g/mol, XLogP of 4.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxycyclohexyl)-3-(4-methyl-2-phenylmethoxyphenyl)urea is sourced from PubChem (CID 56518924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).