1-[3-(cyclohexyloxymethyl)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea

C19H30N2O3 — CID 111754772

IUPAC1-[3-(cyclohexyloxymethyl)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea
SMILESCCC(C)(CO)NC(=O)Nc1cccc(COC2CCCCC2)c1
InChIInChI=1S/C19H30N2O3/c1-3-19(2,14-22)21-18(23)20-16-9-7-8-15(12-16)13-24-17-10-5-4-6-11-17/h7-9,12,17,22H,3-6,10-11,13-14H2,1-2H3,(H2,20,21,23)
InChIKeySXYDAVIPOJFVSM-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.82
Rot. Bonds7

About 1-[3-(cyclohexyloxymethyl)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea

1-[3-(cyclohexyloxymethyl)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea (PubChem CID 111754772) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[3-(cyclohexyloxymethyl)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea.

Molecular Properties

Compound Name1-[3-(cyclohexyloxymethyl)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea
PubChem CID111754772
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name1-[3-(cyclohexyloxymethyl)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea
SMILESCCC(C)(CO)NC(=O)Nc1cccc(COC2CCCCC2)c1
InChIInChI=1S/C19H30N2O3/c1-3-19(2,14-22)21-18(23)20-16-9-7-8-15(12-16)13-24-17-10-5-4-6-11-17/h7-9,12,17,22H,3-6,10-11,13-14H2,1-2H3,(H2,20,21,23)
InChIKeySXYDAVIPOJFVSM-UHFFFAOYSA-N
XLogP3.82
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(ethylsulfanylmethyl)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea
CID 111926572
1-[3-(tert-butylsulfinylmethyl)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea
CID 111754902
2-amino-N-[3-(cyclohexyloxymethyl)phenyl]acetamide;hydrochloride
CID 119306238
1-[3-(cyclohexyloxymethyl)phenyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 111636902
N-[3-(cyclohexyloxymethyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119753884
(2R)-N-[3-(cyclohexyloxymethyl)phenyl]-2-methylsulfonylpropanamide
CID 97435359
4-amino-N-[3-(cyclohexyloxymethyl)phenyl]butanamide;hydrochloride
CID 119306262
N-[3-(cyclohexyloxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119306246
2-hydroxy-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]acetamide
CID 75437260
2-amino-N-[3-(cyclohexyloxymethyl)phenyl]-4-methylsulfonylbutanamide;hydrochloride
CID 119957019
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(cyclohexyloxymethyl)phenyl]acetamide;hydrochloride
CID 119753882
N-[3-(cyclohexyloxymethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxamide
CID 166212302

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclohexyloxymethyl)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea?
The IUPAC name of 1-[3-(cyclohexyloxymethyl)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea (CID 111754772) is 1-[3-(cyclohexyloxymethyl)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea.
What is the SMILES notation for 1-[3-(cyclohexyloxymethyl)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea?
The canonical SMILES for 1-[3-(cyclohexyloxymethyl)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea is CCC(C)(CO)NC(=O)Nc1cccc(COC2CCCCC2)c1.
What is the InChIKey of 1-[3-(cyclohexyloxymethyl)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea?
The InChIKey is SXYDAVIPOJFVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-3-19(2,14-22)21-18(23)20-16-9-7-8-15(12-16)13-24-17-10-5-4-6-11-17/h7-9,12,17,22H,3-6,10-11,13-14H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-[3-(cyclohexyloxymethyl)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea?
1-[3-(cyclohexyloxymethyl)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea has a molecular weight of 334.46 g/mol, XLogP of 3.82, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclohexyloxymethyl)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea is sourced from PubChem (CID 111754772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).