1-[(2-hydroxycyclohexyl)methyl]-3-[(3-methoxy-5-methylphenyl)methyl]-1-methylurea

C18H28N2O3 — CID 110012782

IUPAC1-[(2-hydroxycyclohexyl)methyl]-3-[(3-methoxy-5-methylphenyl)methyl]-1-methylurea
SMILESCOc1cc(C)cc(CNC(=O)N(C)CC2CCCCC2O)c1
InChIInChI=1S/C18H28N2O3/c1-13-8-14(10-16(9-13)23-3)11-19-18(22)20(2)12-15-6-4-5-7-17(15)21/h8-10,15,17,21H,4-7,11-12H2,1-3H3,(H,19,22)
InChIKeyMDKNJJHQAWMBBO-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.70
Rot. Bonds5

About 1-[(2-hydroxycyclohexyl)methyl]-3-[(3-methoxy-5-methylphenyl)methyl]-1-methylurea

1-[(2-hydroxycyclohexyl)methyl]-3-[(3-methoxy-5-methylphenyl)methyl]-1-methylurea (PubChem CID 110012782) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 1-[(2-hydroxycyclohexyl)methyl]-3-[(3-methoxy-5-methylphenyl)methyl]-1-methylurea.

Molecular Properties

Compound Name1-[(2-hydroxycyclohexyl)methyl]-3-[(3-methoxy-5-methylphenyl)methyl]-1-methylurea
PubChem CID110012782
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name1-[(2-hydroxycyclohexyl)methyl]-3-[(3-methoxy-5-methylphenyl)methyl]-1-methylurea
SMILESCOc1cc(C)cc(CNC(=O)N(C)CC2CCCCC2O)c1
InChIInChI=1S/C18H28N2O3/c1-13-8-14(10-16(9-13)23-3)11-19-18(22)20(2)12-15-6-4-5-7-17(15)21/h8-10,15,17,21H,4-7,11-12H2,1-3H3,(H,19,22)
InChIKeyMDKNJJHQAWMBBO-UHFFFAOYSA-N
XLogP2.70
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2-hydroxycyclohexyl)methyl]-3-[(3-methoxy-5-methylphenyl)methyl]-1-methylurea 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

3-[(3-chloro-4-methoxyphenyl)methyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 110012767
1-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(3-propan-2-yloxyphenyl)methyl]urea
CID 97326930
3-[(3-methoxy-5-methylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122007551
1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[(4-methylsulfinylphenyl)methyl]urea
CID 86784691
1-[(2-hydroxycyclopentyl)methyl]-3-(4-methoxy-2-methylphenyl)-1-methylurea
CID 109397032
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 109398502
3-[(3-cyanophenyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109397574
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(4-methyl-2-propan-2-yloxyphenyl)methyl]urea
CID 109398837
3-[(2,5-difluorophenyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398607
3-[(6-chloro-3-pyridinyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109397875
3-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398867
1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 97242726

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxycyclohexyl)methyl]-3-[(3-methoxy-5-methylphenyl)methyl]-1-methylurea?
The IUPAC name of 1-[(2-hydroxycyclohexyl)methyl]-3-[(3-methoxy-5-methylphenyl)methyl]-1-methylurea (CID 110012782) is 1-[(2-hydroxycyclohexyl)methyl]-3-[(3-methoxy-5-methylphenyl)methyl]-1-methylurea.
What is the SMILES notation for 1-[(2-hydroxycyclohexyl)methyl]-3-[(3-methoxy-5-methylphenyl)methyl]-1-methylurea?
The canonical SMILES for 1-[(2-hydroxycyclohexyl)methyl]-3-[(3-methoxy-5-methylphenyl)methyl]-1-methylurea is COc1cc(C)cc(CNC(=O)N(C)CC2CCCCC2O)c1.
What is the InChIKey of 1-[(2-hydroxycyclohexyl)methyl]-3-[(3-methoxy-5-methylphenyl)methyl]-1-methylurea?
The InChIKey is MDKNJJHQAWMBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-13-8-14(10-16(9-13)23-3)11-19-18(22)20(2)12-15-6-4-5-7-17(15)21/h8-10,15,17,21H,4-7,11-12H2,1-3H3,(H,19,22).
What are the key properties of 1-[(2-hydroxycyclohexyl)methyl]-3-[(3-methoxy-5-methylphenyl)methyl]-1-methylurea?
1-[(2-hydroxycyclohexyl)methyl]-3-[(3-methoxy-5-methylphenyl)methyl]-1-methylurea has a molecular weight of 320.43 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxycyclohexyl)methyl]-3-[(3-methoxy-5-methylphenyl)methyl]-1-methylurea is sourced from PubChem (CID 110012782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).