1-[2-(cyclopropylmethoxy)ethyl]-3-[4-(hydroxymethyl)cyclohexyl]urea

C14H26N2O3 — CID 75425944

IUPAC1-[2-(cyclopropylmethoxy)ethyl]-3-[4-(hydroxymethyl)cyclohexyl]urea
SMILESO=C(NCCOCC1CC1)NC1CCC(CO)CC1
InChIInChI=1S/C14H26N2O3/c17-9-11-3-5-13(6-4-11)16-14(18)15-7-8-19-10-12-1-2-12/h11-13,17H,1-10H2,(H2,15,16,18)
InChIKeyGQYIUNVFKXGUDK-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.26
Rot. Bonds7

About 1-[2-(cyclopropylmethoxy)ethyl]-3-[4-(hydroxymethyl)cyclohexyl]urea

1-[2-(cyclopropylmethoxy)ethyl]-3-[4-(hydroxymethyl)cyclohexyl]urea (PubChem CID 75425944) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethoxy)ethyl]-3-[4-(hydroxymethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-[2-(cyclopropylmethoxy)ethyl]-3-[4-(hydroxymethyl)cyclohexyl]urea
PubChem CID75425944
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-[2-(cyclopropylmethoxy)ethyl]-3-[4-(hydroxymethyl)cyclohexyl]urea
SMILESO=C(NCCOCC1CC1)NC1CCC(CO)CC1
InChIInChI=1S/C14H26N2O3/c17-9-11-3-5-13(6-4-11)16-14(18)15-7-8-19-10-12-1-2-12/h11-13,17H,1-10H2,(H2,15,16,18)
InChIKeyGQYIUNVFKXGUDK-UHFFFAOYSA-N
XLogP1.26
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(hydroxymethyl)cyclohexyl]-3-[2-(3-methylcyclopentyl)ethyl]urea
CID 167834563
1-cyclobutyl-3-[2-(2-hydroxyethoxy)ethyl]urea
CID 116658500
4-[3-(oxan-4-ylmethoxy)propylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122023417
1-[3-(cyclopropylmethoxy)propyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111630411
1-cyclohexyl-3-[4-(hydroxymethyl)cyclohexyl]urea
CID 115270084
1-[2-(cyclopropylmethoxy)ethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111338531
3-[[4-(hydroxymethyl)cyclohexyl]carbamoylamino]-2-methoxypropanoic acid
CID 112753142
1-[2-(2-chloroethoxy)ethyl]-3-cyclohexylurea
CID 12683643
1-[3-(2-aminoethoxy)propyl]-3-cyclopropylurea
CID 106308098
1-(2-aminooxyethyl)-3-cyclopentylurea
CID 143252596
1-(2-but-3-enoxyethyl)-3-cyclopentylurea
CID 103853130
4-amino-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide
CID 103795970

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylmethoxy)ethyl]-3-[4-(hydroxymethyl)cyclohexyl]urea?
The IUPAC name of 1-[2-(cyclopropylmethoxy)ethyl]-3-[4-(hydroxymethyl)cyclohexyl]urea (CID 75425944) is 1-[2-(cyclopropylmethoxy)ethyl]-3-[4-(hydroxymethyl)cyclohexyl]urea.
What is the SMILES notation for 1-[2-(cyclopropylmethoxy)ethyl]-3-[4-(hydroxymethyl)cyclohexyl]urea?
The canonical SMILES for 1-[2-(cyclopropylmethoxy)ethyl]-3-[4-(hydroxymethyl)cyclohexyl]urea is O=C(NCCOCC1CC1)NC1CCC(CO)CC1.
What is the InChIKey of 1-[2-(cyclopropylmethoxy)ethyl]-3-[4-(hydroxymethyl)cyclohexyl]urea?
The InChIKey is GQYIUNVFKXGUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c17-9-11-3-5-13(6-4-11)16-14(18)15-7-8-19-10-12-1-2-12/h11-13,17H,1-10H2,(H2,15,16,18).
What are the key properties of 1-[2-(cyclopropylmethoxy)ethyl]-3-[4-(hydroxymethyl)cyclohexyl]urea?
1-[2-(cyclopropylmethoxy)ethyl]-3-[4-(hydroxymethyl)cyclohexyl]urea has a molecular weight of 270.37 g/mol, XLogP of 1.26, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylmethoxy)ethyl]-3-[4-(hydroxymethyl)cyclohexyl]urea is sourced from PubChem (CID 75425944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).