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

C13H24N2O — CID 115590484

IUPAC1-cyclopropyl-3-[(4-ethylcyclohexyl)methyl]urea
SMILESCCC1CCC(CNC(=O)NC2CC2)CC1
InChIInChI=1S/C13H24N2O/c1-2-10-3-5-11(6-4-10)9-14-13(16)15-12-7-8-12/h10-12H,2-9H2,1H3,(H2,14,15,16)
InChIKeyKWWKJYZUCJASRT-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.66
Rot. Bonds4

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

1-cyclopropyl-3-[(4-ethylcyclohexyl)methyl]urea (PubChem CID 115590484) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(4-ethylcyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(4-ethylcyclohexyl)methyl]urea
PubChem CID115590484
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-cyclopropyl-3-[(4-ethylcyclohexyl)methyl]urea
SMILESCCC1CCC(CNC(=O)NC2CC2)CC1
InChIInChI=1S/C13H24N2O/c1-2-10-3-5-11(6-4-10)9-14-13(16)15-12-7-8-12/h10-12H,2-9H2,1H3,(H2,14,15,16)
InChIKeyKWWKJYZUCJASRT-UHFFFAOYSA-N
XLogP2.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopentyl-3-[(4-ethylcyclohexyl)methyl]urea
CID 113226526
1-(cyclooctylmethyl)-3-cyclopropylurea
CID 87025156
1-butyl-3-(4-ethylcyclohexyl)urea
CID 78894754
1-(4-ethylcyclohexyl)-3-(2,2,2-trifluoroethyl)urea
CID 113225883
1-amino-3-(4-ethylcyclohexyl)urea
CID 61468290
ethyl 3-[(4-ethylcyclohexyl)carbamoylamino]propanoate
CID 17174375
1-cyclododecyl-3-(cyclohexylmethyl)urea
CID 108902864
methyl 3-[(4-ethylcyclohexyl)methylcarbamoylamino]piperidine-1-carboxylate
CID 86882343
1-cyclopropyl-3-[[(1R,3R)-3-[(cyclopropylcarbamoylamino)methyl]cyclohexyl]methyl]urea
CID 26974860
cis-(1R,3S)-3-(cyclopropylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106323981
2-(cyclopropylmethylamino)-N-(4-ethylcyclohexyl)acetamide;hydrochloride
CID 119716167
4-[[(4-hydroxycyclohexyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 79524947

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(4-ethylcyclohexyl)methyl]urea?
The IUPAC name of 1-cyclopropyl-3-[(4-ethylcyclohexyl)methyl]urea (CID 115590484) is 1-cyclopropyl-3-[(4-ethylcyclohexyl)methyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[(4-ethylcyclohexyl)methyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[(4-ethylcyclohexyl)methyl]urea is CCC1CCC(CNC(=O)NC2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-3-[(4-ethylcyclohexyl)methyl]urea?
The InChIKey is KWWKJYZUCJASRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-10-3-5-11(6-4-10)9-14-13(16)15-12-7-8-12/h10-12H,2-9H2,1H3,(H2,14,15,16).
What are the key properties of 1-cyclopropyl-3-[(4-ethylcyclohexyl)methyl]urea?
1-cyclopropyl-3-[(4-ethylcyclohexyl)methyl]urea has a molecular weight of 224.35 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(4-ethylcyclohexyl)methyl]urea is sourced from PubChem (CID 115590484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).