1-cyclohexyl-1-ethyl-3-[(1S,2S)-2-phenylcyclopropyl]urea

C18H26N2O — CID 97028256

IUPAC1-cyclohexyl-1-ethyl-3-[(1S,2S)-2-phenylcyclopropyl]urea
SMILESCCN(C(=O)N[C@H]1C[C@H]1c1ccccc1)C1CCCCC1
InChIInChI=1S/C18H26N2O/c1-2-20(15-11-7-4-8-12-15)18(21)19-17-13-16(17)14-9-5-3-6-10-14/h3,5-6,9-10,15-17H,2,4,7-8,11-13H2,1H3,(H,19,21)/t16-,17-/m0/s1
InChIKeyGGSVKMCQIHUTBS-IRXDYDNUSA-N
MW286.42 g/mol
LogP3.91
Rot. Bonds4

About 1-cyclohexyl-1-ethyl-3-[(1S,2S)-2-phenylcyclopropyl]urea

1-cyclohexyl-1-ethyl-3-[(1S,2S)-2-phenylcyclopropyl]urea (PubChem CID 97028256) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-cyclohexyl-1-ethyl-3-[(1S,2S)-2-phenylcyclopropyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-1-ethyl-3-[(1S,2S)-2-phenylcyclopropyl]urea
PubChem CID97028256
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-cyclohexyl-1-ethyl-3-[(1S,2S)-2-phenylcyclopropyl]urea
SMILESCCN(C(=O)N[C@H]1C[C@H]1c1ccccc1)C1CCCCC1
InChIInChI=1S/C18H26N2O/c1-2-20(15-11-7-4-8-12-15)18(21)19-17-13-16(17)14-9-5-3-6-10-14/h3,5-6,9-10,15-17H,2,4,7-8,11-13H2,1H3,(H,19,21)/t16-,17-/m0/s1
InChIKeyGGSVKMCQIHUTBS-IRXDYDNUSA-N
XLogP3.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-1-(2-hydroxyethyl)-3-(2-phenylcyclopropyl)urea
CID 71937230
3-[ethyl-[(2-phenylcyclopropyl)carbamoyl]amino]butanoic acid
CID 62826816
N-[(1R,2R)-2-phenylcyclopropyl]acetamide
CID 6954168
1-(cyanomethyl)-1-methyl-3-(2-phenylcyclopropyl)urea
CID 3689046
1-cyclohexyl-1-ethyl-3-(1-phenylbutyl)urea
CID 112806156
1-ethyl-1-(furan-3-ylmethyl)-3-[(1R,2R)-2-phenylcyclopropyl]urea
CID 95281147
2-[(2-phenylcyclopropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978629
N,N-diethyl-2-[(2-phenylcyclohexyl)amino]acetamide
CID 115712662
N-cyclohexyl-N-ethyl-3-phenylpropanamide
CID 670110
N-cyclohexyl-N-ethyl-2,2-diphenylacetamide
CID 21210383
N-[(1S,2R)-2-phenylcyclopropyl]benzamide
CID 7350127
methyl 2-oxo-2-[(2-phenylcyclopropyl)amino]acetate
CID 112617050

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-ethyl-3-[(1S,2S)-2-phenylcyclopropyl]urea?
The IUPAC name of 1-cyclohexyl-1-ethyl-3-[(1S,2S)-2-phenylcyclopropyl]urea (CID 97028256) is 1-cyclohexyl-1-ethyl-3-[(1S,2S)-2-phenylcyclopropyl]urea.
What is the SMILES notation for 1-cyclohexyl-1-ethyl-3-[(1S,2S)-2-phenylcyclopropyl]urea?
The canonical SMILES for 1-cyclohexyl-1-ethyl-3-[(1S,2S)-2-phenylcyclopropyl]urea is CCN(C(=O)N[C@H]1C[C@H]1c1ccccc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-ethyl-3-[(1S,2S)-2-phenylcyclopropyl]urea?
The InChIKey is GGSVKMCQIHUTBS-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H26N2O/c1-2-20(15-11-7-4-8-12-15)18(21)19-17-13-16(17)14-9-5-3-6-10-14/h3,5-6,9-10,15-17H,2,4,7-8,11-13H2,1H3,(H,19,21)/t16-,17-/m0/s1.
What are the key properties of 1-cyclohexyl-1-ethyl-3-[(1S,2S)-2-phenylcyclopropyl]urea?
1-cyclohexyl-1-ethyl-3-[(1S,2S)-2-phenylcyclopropyl]urea has a molecular weight of 286.42 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-ethyl-3-[(1S,2S)-2-phenylcyclopropyl]urea is sourced from PubChem (CID 97028256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).