1-(cyclooctylmethyl)-3-(2-hydroxy-3-methoxypropyl)urea

C14H28N2O3 — CID 111426766

IUPAC1-(cyclooctylmethyl)-3-(2-hydroxy-3-methoxypropyl)urea
SMILESCOCC(O)CNC(=O)NCC1CCCCCCC1
InChIInChI=1S/C14H28N2O3/c1-19-11-13(17)10-16-14(18)15-9-12-7-5-3-2-4-6-8-12/h12-13,17H,2-11H2,1H3,(H2,15,16,18)
InChIKeyIPCZZIWGIMKNTR-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.65
Rot. Bonds6

About 1-(cyclooctylmethyl)-3-(2-hydroxy-3-methoxypropyl)urea

1-(cyclooctylmethyl)-3-(2-hydroxy-3-methoxypropyl)urea (PubChem CID 111426766) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(cyclooctylmethyl)-3-(2-hydroxy-3-methoxypropyl)urea.

Molecular Properties

Compound Name1-(cyclooctylmethyl)-3-(2-hydroxy-3-methoxypropyl)urea
PubChem CID111426766
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name1-(cyclooctylmethyl)-3-(2-hydroxy-3-methoxypropyl)urea
SMILESCOCC(O)CNC(=O)NCC1CCCCCCC1
InChIInChI=1S/C14H28N2O3/c1-19-11-13(17)10-16-14(18)15-9-12-7-5-3-2-4-6-8-12/h12-13,17H,2-11H2,1H3,(H2,15,16,18)
InChIKeyIPCZZIWGIMKNTR-UHFFFAOYSA-N
XLogP1.65
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclobutylmethyl)-3-(cyclohexylmethyl)urea
CID 155200065
N-(cyclohexylmethyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide
CID 111462618
4-(cycloheptylmethylamino)-1-methoxybutan-2-ol
CID 103876173
1-(2-hydroxy-3-methoxypropyl)-3-(4-propylcyclohexyl)urea
CID 111426774
1-(cyclopentylmethyl)-3-propan-2-ylurea
CID 84521639
3-[(cyclopentylmethylcarbamoylamino)methyl]pentanoic acid
CID 81069465
2-[(cyclopentylmethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473976
1-(cyclohexylmethyl)-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea
CID 131892063
2-amino-N-(cyclobutylmethyl)-3-methoxypropanamide
CID 81080963
1-cycloheptyl-3-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
CID 97080512
1-(2,2-diphenylethyl)-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426647
1-(cyclooctylmethyl)-3-cyclopropylurea
CID 87025156

Frequently Asked Questions

What is the IUPAC name of 1-(cyclooctylmethyl)-3-(2-hydroxy-3-methoxypropyl)urea?
The IUPAC name of 1-(cyclooctylmethyl)-3-(2-hydroxy-3-methoxypropyl)urea (CID 111426766) is 1-(cyclooctylmethyl)-3-(2-hydroxy-3-methoxypropyl)urea.
What is the SMILES notation for 1-(cyclooctylmethyl)-3-(2-hydroxy-3-methoxypropyl)urea?
The canonical SMILES for 1-(cyclooctylmethyl)-3-(2-hydroxy-3-methoxypropyl)urea is COCC(O)CNC(=O)NCC1CCCCCCC1.
What is the InChIKey of 1-(cyclooctylmethyl)-3-(2-hydroxy-3-methoxypropyl)urea?
The InChIKey is IPCZZIWGIMKNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-19-11-13(17)10-16-14(18)15-9-12-7-5-3-2-4-6-8-12/h12-13,17H,2-11H2,1H3,(H2,15,16,18).
What are the key properties of 1-(cyclooctylmethyl)-3-(2-hydroxy-3-methoxypropyl)urea?
1-(cyclooctylmethyl)-3-(2-hydroxy-3-methoxypropyl)urea has a molecular weight of 272.39 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclooctylmethyl)-3-(2-hydroxy-3-methoxypropyl)urea is sourced from PubChem (CID 111426766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).