1-(1-cyclohexylethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea

C14H26N2O2 — CID 111619002

IUPAC1-(1-cyclohexylethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
SMILESCC(NC(=O)NCC1(CO)CC1)C1CCCCC1
InChIInChI=1S/C14H26N2O2/c1-11(12-5-3-2-4-6-12)16-13(18)15-9-14(10-17)7-8-14/h11-12,17H,2-10H2,1H3,(H2,15,16,18)
InChIKeyWHZMZRALVBOICD-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.03
Rot. Bonds5

About 1-(1-cyclohexylethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea

1-(1-cyclohexylethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea (PubChem CID 111619002) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(1-cyclohexylethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-(1-cyclohexylethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
PubChem CID111619002
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-(1-cyclohexylethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
SMILESCC(NC(=O)NCC1(CO)CC1)C1CCCCC1
InChIInChI=1S/C14H26N2O2/c1-11(12-5-3-2-4-6-12)16-13(18)15-9-14(10-17)7-8-14/h11-12,17H,2-10H2,1H3,(H2,15,16,18)
InChIKeyWHZMZRALVBOICD-UHFFFAOYSA-N
XLogP2.03
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclobutylethyl)-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]urea
CID 109499933
[1-[(1-cyclopentylethylamino)methyl]cyclohexyl]methanol
CID 81419658
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea
CID 115362818
1-(dicyclopropylmethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618467
2-[1-(1-cyclohexylethylcarbamoylamino)cyclopentyl]acetic acid
CID 64700515
1-(3,3-dimethylbutan-2-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618872
1-(1-cyclohexylethyl)-3-(3-hydroxybutyl)urea
CID 111507132
3-(1-cyclopentylethylcarbamoylamino)-2-hydroxypropanoic acid
CID 66166167
3-(1-cyclohexylethylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
CID 66175537
2-[1-(1-cyclohexylethylcarbamoylamino)cyclobutyl]acetic acid
CID 79851852
1-(1-cyclohexylethyl)-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111507119
1-(5,5-dimethylhexan-2-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618934

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The IUPAC name of 1-(1-cyclohexylethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea (CID 111619002) is 1-(1-cyclohexylethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1-(1-cyclohexylethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The canonical SMILES for 1-(1-cyclohexylethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea is CC(NC(=O)NCC1(CO)CC1)C1CCCCC1.
What is the InChIKey of 1-(1-cyclohexylethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The InChIKey is WHZMZRALVBOICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11(12-5-3-2-4-6-12)16-13(18)15-9-14(10-17)7-8-14/h11-12,17H,2-10H2,1H3,(H2,15,16,18).
What are the key properties of 1-(1-cyclohexylethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
1-(1-cyclohexylethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea has a molecular weight of 254.37 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea is sourced from PubChem (CID 111619002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).