1-(4-hydroxycyclohexyl)-3-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]urea

C19H30N2O3 — CID 111975000

IUPAC1-(4-hydroxycyclohexyl)-3-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]urea
SMILESCc1ccc(CNC(=O)NC2CCC(O)CC2)c(OC(C)(C)C)c1
InChIInChI=1S/C19H30N2O3/c1-13-5-6-14(17(11-13)24-19(2,3)4)12-20-18(23)21-15-7-9-16(22)10-8-15/h5-6,11,15-16,22H,7-10,12H2,1-4H3,(H2,20,21,23)
InChIKeyDQXNJZQOQJADCR-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.28
Rot. Bonds4

About 1-(4-hydroxycyclohexyl)-3-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]urea

1-(4-hydroxycyclohexyl)-3-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]urea (PubChem CID 111975000) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-3-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]urea.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-3-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]urea
PubChem CID111975000
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name1-(4-hydroxycyclohexyl)-3-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]urea
SMILESCc1ccc(CNC(=O)NC2CCC(O)CC2)c(OC(C)(C)C)c1
InChIInChI=1S/C19H30N2O3/c1-13-5-6-14(17(11-13)24-19(2,3)4)12-20-18(23)21-15-7-9-16(22)10-8-15/h5-6,11,15-16,22H,7-10,12H2,1-4H3,(H2,20,21,23)
InChIKeyDQXNJZQOQJADCR-UHFFFAOYSA-N
XLogP3.28
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(4-hydroxycyclohexyl)-3-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-methoxy-4-methylphenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122006275
4-[[2-(2-methoxyethoxy)-4-methylphenyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122005941
1-cyclopentyl-3-[(2,4-dimethylphenyl)methyl]urea
CID 47322167
4-[[2-(2-ethoxyethoxy)-4-methylphenyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122005886
4-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122006245
N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119811513
3-amino-N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119811481
4-amino-N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]butanamide
CID 119339529
1-cyclopent-3-en-1-yl-3-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]urea
CID 71970329
1-[(3-hydroxycyclopentyl)methyl]-3-[(4-methyl-2-propan-2-yloxyphenyl)methyl]urea
CID 86819026
N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940167
1-[(2-ethoxy-4-methylphenyl)methyl]-3-[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 124572180

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-3-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]urea?
The IUPAC name of 1-(4-hydroxycyclohexyl)-3-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]urea (CID 111975000) is 1-(4-hydroxycyclohexyl)-3-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]urea.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-3-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]urea?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-3-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]urea is Cc1ccc(CNC(=O)NC2CCC(O)CC2)c(OC(C)(C)C)c1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-3-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]urea?
The InChIKey is DQXNJZQOQJADCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-13-5-6-14(17(11-13)24-19(2,3)4)12-20-18(23)21-15-7-9-16(22)10-8-15/h5-6,11,15-16,22H,7-10,12H2,1-4H3,(H2,20,21,23).
What are the key properties of 1-(4-hydroxycyclohexyl)-3-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]urea?
1-(4-hydroxycyclohexyl)-3-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]urea has a molecular weight of 334.46 g/mol, XLogP of 3.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-3-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]urea is sourced from PubChem (CID 111975000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).