1-[(4-ethylcyclohexyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea

C15H28N2O2 — CID 111618683

IUPAC1-[(4-ethylcyclohexyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
SMILESCCC1CCC(CNC(=O)NCC2(CO)CC2)CC1
InChIInChI=1S/C15H28N2O2/c1-2-12-3-5-13(6-4-12)9-16-14(19)17-10-15(11-18)7-8-15/h12-13,18H,2-11H2,1H3,(H2,16,17,19)
InChIKeyFSUXGXPIPZLSIN-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.27
Rot. Bonds6

About 1-[(4-ethylcyclohexyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea

1-[(4-ethylcyclohexyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea (PubChem CID 111618683) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[(4-ethylcyclohexyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-[(4-ethylcyclohexyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
PubChem CID111618683
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-[(4-ethylcyclohexyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
SMILESCCC1CCC(CNC(=O)NCC2(CO)CC2)CC1
InChIInChI=1S/C15H28N2O2/c1-2-12-3-5-13(6-4-12)9-16-14(19)17-10-15(11-18)7-8-15/h12-13,18H,2-11H2,1H3,(H2,16,17,19)
InChIKeyFSUXGXPIPZLSIN-UHFFFAOYSA-N
XLogP2.27
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[(4-ethylcyclohexyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea with MolForge

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Related Compounds

1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methylurea
CID 79461046
1-cyclopropyl-3-[(4-ethylcyclohexyl)methyl]urea
CID 115590484
1-amino-N-[(4-ethylcyclohexyl)methyl]cyclopentane-1-carboxamide
CID 54880967
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methylpropyl)urea
CID 111573291
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 111618803
1-cyclopentyl-3-[(4-ethylcyclohexyl)methyl]urea
CID 113226526
1-(cyclohexylmethyl)-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea
CID 131892063
1-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618670
2-[1-[[(1-methylpiperidin-4-yl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid
CID 81155945
1-[(cyclobutylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115451238
1-(dicyclopropylmethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618467
4-[(4-ethylcyclohexyl)methylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79191671

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylcyclohexyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The IUPAC name of 1-[(4-ethylcyclohexyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea (CID 111618683) is 1-[(4-ethylcyclohexyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1-[(4-ethylcyclohexyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The canonical SMILES for 1-[(4-ethylcyclohexyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea is CCC1CCC(CNC(=O)NCC2(CO)CC2)CC1.
What is the InChIKey of 1-[(4-ethylcyclohexyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The InChIKey is FSUXGXPIPZLSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-2-12-3-5-13(6-4-12)9-16-14(19)17-10-15(11-18)7-8-15/h12-13,18H,2-11H2,1H3,(H2,16,17,19).
What are the key properties of 1-[(4-ethylcyclohexyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
1-[(4-ethylcyclohexyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea has a molecular weight of 268.40 g/mol, XLogP of 2.27, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylcyclohexyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea is sourced from PubChem (CID 111618683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).