1-(cyclohexylmethyl)-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea

C15H28N2O2 — CID 131892063

IUPAC1-(cyclohexylmethyl)-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea
SMILESCOCC1(CNC(=O)NCC2CCCCC2)CCC1
InChIInChI=1S/C15H28N2O2/c1-19-12-15(8-5-9-15)11-17-14(18)16-10-13-6-3-2-4-7-13/h13H,2-12H2,1H3,(H2,16,17,18)
InChIKeyMQDUGNDFIQGZFB-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.68
Rot. Bonds6

About 1-(cyclohexylmethyl)-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea

1-(cyclohexylmethyl)-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea (PubChem CID 131892063) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea
PubChem CID131892063
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-(cyclohexylmethyl)-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea
SMILESCOCC1(CNC(=O)NCC2CCCCC2)CCC1
InChIInChI=1S/C15H28N2O2/c1-19-12-15(8-5-9-15)11-17-14(18)16-10-13-6-3-2-4-7-13/h13H,2-12H2,1H3,(H2,16,17,18)
InChIKeyMQDUGNDFIQGZFB-UHFFFAOYSA-N
XLogP2.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclobutylmethyl)-3-(cyclohexylmethyl)urea
CID 155200065
2-cyclobutyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide
CID 114280566
N-[[1-(methoxymethyl)cyclopentyl]methyl]-2-(oxolan-3-yl)acetamide
CID 122569101
2-[1-[[(1-methylpiperidin-4-yl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid
CID 81155945
(2R)-N-[[1-(methoxymethyl)cyclopentyl]methyl]spiro[2.3]hexane-2-carboxamide
CID 125443450
N-[[1-(methoxymethyl)cyclopentyl]methyl]spiro[2.3]hexane-2-carboxamide
CID 122566407
1-[(cyclobutylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115451238
1-(cyclooctylmethyl)-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426766
1-[(4-ethylcyclohexyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618683
cis-(1R,3S)-3-amino-N-[[1-(methoxymethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 154909398
N-[[1-(methoxymethyl)cyclohexyl]methyl]propan-2-amine
CID 103984492
1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea
CID 71850983

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea?
The IUPAC name of 1-(cyclohexylmethyl)-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea (CID 131892063) is 1-(cyclohexylmethyl)-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea?
The canonical SMILES for 1-(cyclohexylmethyl)-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea is COCC1(CNC(=O)NCC2CCCCC2)CCC1.
What is the InChIKey of 1-(cyclohexylmethyl)-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea?
The InChIKey is MQDUGNDFIQGZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-19-12-15(8-5-9-15)11-17-14(18)16-10-13-6-3-2-4-7-13/h13H,2-12H2,1H3,(H2,16,17,18).
What are the key properties of 1-(cyclohexylmethyl)-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea?
1-(cyclohexylmethyl)-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea has a molecular weight of 268.40 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea is sourced from PubChem (CID 131892063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).