1-(2-hydroxycyclohexyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea

C18H28N2O3 — CID 110933256

IUPAC1-(2-hydroxycyclohexyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea
SMILESCC(C)Oc1ccc(C(C)NC(=O)NC2CCCCC2O)cc1
InChIInChI=1S/C18H28N2O3/c1-12(2)23-15-10-8-14(9-11-15)13(3)19-18(22)20-16-6-4-5-7-17(16)21/h8-13,16-17,21H,4-7H2,1-3H3,(H2,19,20,22)
InChIKeyDZPKZBRQVMYBQH-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.14
Rot. Bonds5

About 1-(2-hydroxycyclohexyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea

1-(2-hydroxycyclohexyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea (PubChem CID 110933256) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 1-(2-hydroxycyclohexyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2-hydroxycyclohexyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea
PubChem CID110933256
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name1-(2-hydroxycyclohexyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea
SMILESCC(C)Oc1ccc(C(C)NC(=O)NC2CCCCC2O)cc1
InChIInChI=1S/C18H28N2O3/c1-12(2)23-15-10-8-14(9-11-15)13(3)19-18(22)20-16-6-4-5-7-17(16)21/h8-13,16-17,21H,4-7H2,1-3H3,(H2,19,20,22)
InChIKeyDZPKZBRQVMYBQH-UHFFFAOYSA-N
XLogP3.14
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-fluorophenoxy)propyl]-3-(2-hydroxycyclohexyl)urea
CID 111508697
1-(1-hydroxypropan-2-yl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea
CID 110895700
1-(2-hydroxycyclohexyl)-3-(2-propan-2-yloxyphenyl)urea
CID 110933007
2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]cyclohexan-1-ol
CID 81371394
1-cyclopentyl-3-[1-(4-methylphenyl)ethyl]urea
CID 47322191
1-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(1R,2S)-2-hydroxycyclohexyl]urea
CID 97020554
2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 43699540
1-cyclohexyl-3-[(1R)-1-(4-methylphenyl)ethyl]urea
CID 94192175
1-(3-hydroxybutyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea
CID 111337153
1-methyl-1-(3-methylcyclohexyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea
CID 112835878
N-cyclopentyloxy-1-(4-propan-2-yloxyphenyl)ethanamine
CID 83229574
4-hydroxy-N-[1-(4-propan-2-yloxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 43699561

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxycyclohexyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea?
The IUPAC name of 1-(2-hydroxycyclohexyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea (CID 110933256) is 1-(2-hydroxycyclohexyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(2-hydroxycyclohexyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea?
The canonical SMILES for 1-(2-hydroxycyclohexyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea is CC(C)Oc1ccc(C(C)NC(=O)NC2CCCCC2O)cc1.
What is the InChIKey of 1-(2-hydroxycyclohexyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea?
The InChIKey is DZPKZBRQVMYBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-12(2)23-15-10-8-14(9-11-15)13(3)19-18(22)20-16-6-4-5-7-17(16)21/h8-13,16-17,21H,4-7H2,1-3H3,(H2,19,20,22).
What are the key properties of 1-(2-hydroxycyclohexyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea?
1-(2-hydroxycyclohexyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea has a molecular weight of 320.43 g/mol, XLogP of 3.14, 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-[1-(4-propan-2-yloxyphenyl)ethyl]urea is sourced from PubChem (CID 110933256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).