1-[(3-hydroxycyclohexyl)methyl]-3-[3-(2-methylpropoxy)phenyl]urea

C18H28N2O3 — CID 111473884

IUPAC1-[(3-hydroxycyclohexyl)methyl]-3-[3-(2-methylpropoxy)phenyl]urea
SMILESCC(C)COc1cccc(NC(=O)NCC2CCCC(O)C2)c1
InChIInChI=1S/C18H28N2O3/c1-13(2)12-23-17-8-4-6-15(10-17)20-18(22)19-11-14-5-3-7-16(21)9-14/h4,6,8,10,13-14,16,21H,3,5,7,9,11-12H2,1-2H3,(H2,19,20,22)
InChIKeyIPXHBDHOPUPRCT-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.39
Rot. Bonds6

About 1-[(3-hydroxycyclohexyl)methyl]-3-[3-(2-methylpropoxy)phenyl]urea

1-[(3-hydroxycyclohexyl)methyl]-3-[3-(2-methylpropoxy)phenyl]urea (PubChem CID 111473884) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 1-[(3-hydroxycyclohexyl)methyl]-3-[3-(2-methylpropoxy)phenyl]urea.

Molecular Properties

Compound Name1-[(3-hydroxycyclohexyl)methyl]-3-[3-(2-methylpropoxy)phenyl]urea
PubChem CID111473884
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name1-[(3-hydroxycyclohexyl)methyl]-3-[3-(2-methylpropoxy)phenyl]urea
SMILESCC(C)COc1cccc(NC(=O)NCC2CCCC(O)C2)c1
InChIInChI=1S/C18H28N2O3/c1-13(2)12-23-17-8-4-6-15(10-17)20-18(22)19-11-14-5-3-7-16(21)9-14/h4,6,8,10,13-14,16,21H,3,5,7,9,11-12H2,1-2H3,(H2,19,20,22)
InChIKeyIPXHBDHOPUPRCT-UHFFFAOYSA-N
XLogP3.39
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-3-[[(1R,3S)-3-[[(3-methoxyphenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 27017960
1,3-bis[3-(2-methylpropoxy)phenyl]urea
CID 17170442
1-(3,4-dimethylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111472619
N-[(3-hydroxycyclobutyl)methyl]-3-(2-methylpropoxy)benzamide
CID 66007075
2-[(3-hydroxycyclohexyl)methylamino]-N-(3-methoxyphenyl)acetamide
CID 106132626
N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374
4-(2-methylpropoxy)-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079614
1-[4-(dimethylamino)-3-methylphenyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111473697
1-(3-fluorophenyl)-3-[[3-[[(3-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 43835568
3-[3-(2-methylpropoxy)anilino]-3-oxopropanoic acid
CID 62230040
1-[4-(dimethylamino)phenyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111472680
2-[[3-(2-methylpropoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 17079570

Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxycyclohexyl)methyl]-3-[3-(2-methylpropoxy)phenyl]urea?
The IUPAC name of 1-[(3-hydroxycyclohexyl)methyl]-3-[3-(2-methylpropoxy)phenyl]urea (CID 111473884) is 1-[(3-hydroxycyclohexyl)methyl]-3-[3-(2-methylpropoxy)phenyl]urea.
What is the SMILES notation for 1-[(3-hydroxycyclohexyl)methyl]-3-[3-(2-methylpropoxy)phenyl]urea?
The canonical SMILES for 1-[(3-hydroxycyclohexyl)methyl]-3-[3-(2-methylpropoxy)phenyl]urea is CC(C)COc1cccc(NC(=O)NCC2CCCC(O)C2)c1.
What is the InChIKey of 1-[(3-hydroxycyclohexyl)methyl]-3-[3-(2-methylpropoxy)phenyl]urea?
The InChIKey is IPXHBDHOPUPRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-13(2)12-23-17-8-4-6-15(10-17)20-18(22)19-11-14-5-3-7-16(21)9-14/h4,6,8,10,13-14,16,21H,3,5,7,9,11-12H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-[(3-hydroxycyclohexyl)methyl]-3-[3-(2-methylpropoxy)phenyl]urea?
1-[(3-hydroxycyclohexyl)methyl]-3-[3-(2-methylpropoxy)phenyl]urea has a molecular weight of 320.43 g/mol, XLogP of 3.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxycyclohexyl)methyl]-3-[3-(2-methylpropoxy)phenyl]urea is sourced from PubChem (CID 111473884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).