1-(5-methylhexan-2-yl)-3-[(1-phenylcyclopropyl)methyl]urea

C18H28N2O — CID 112828675

IUPAC1-(5-methylhexan-2-yl)-3-[(1-phenylcyclopropyl)methyl]urea
SMILESCC(C)CCC(C)NC(=O)NCC1(c2ccccc2)CC1
InChIInChI=1S/C18H28N2O/c1-14(2)9-10-15(3)20-17(21)19-13-18(11-12-18)16-7-5-4-6-8-16/h4-8,14-15H,9-13H2,1-3H3,(H2,19,20,21)
InChIKeyUHNYOLIRFGVGDA-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.84
Rot. Bonds7

About 1-(5-methylhexan-2-yl)-3-[(1-phenylcyclopropyl)methyl]urea

1-(5-methylhexan-2-yl)-3-[(1-phenylcyclopropyl)methyl]urea (PubChem CID 112828675) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-(5-methylhexan-2-yl)-3-[(1-phenylcyclopropyl)methyl]urea.

Molecular Properties

Compound Name1-(5-methylhexan-2-yl)-3-[(1-phenylcyclopropyl)methyl]urea
PubChem CID112828675
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-(5-methylhexan-2-yl)-3-[(1-phenylcyclopropyl)methyl]urea
SMILESCC(C)CCC(C)NC(=O)NCC1(c2ccccc2)CC1
InChIInChI=1S/C18H28N2O/c1-14(2)9-10-15(3)20-17(21)19-13-18(11-12-18)16-7-5-4-6-8-16/h4-8,14-15H,9-13H2,1-3H3,(H2,19,20,21)
InChIKeyUHNYOLIRFGVGDA-UHFFFAOYSA-N
XLogP3.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(1-phenylcyclopropyl)methyl]urea
CID 94183170
1-butan-2-yl-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
CID 113214285
1-[(1-phenylcyclopropyl)methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 94163986
1-methoxy-3-[(1-phenylcyclopropyl)methyl]urea
CID 47159768
2-amino-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 110459326
N-[4-[1-[(1-phenylcyclopropyl)methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 42891913
1-(1-hydroxy-4-methylpentan-3-yl)-3-[(4-phenyloxan-4-yl)methyl]urea
CID 111504888
N-(2-methylpropyl)-N'-[(1-phenylcyclopentyl)methyl]oxamide
CID 40566076
1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[(1-phenylcyclopropyl)methyl]urea
CID 94183164
N'-[(2S)-4-phenylbutan-2-yl]-N-[(1-phenylcyclopentyl)methyl]oxamide
CID 7270600
1-(4-hydroxy-3-methylbutan-2-yl)-3-[(4-phenyloxan-4-yl)methyl]urea
CID 111454581
3-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 110470652

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylhexan-2-yl)-3-[(1-phenylcyclopropyl)methyl]urea?
The IUPAC name of 1-(5-methylhexan-2-yl)-3-[(1-phenylcyclopropyl)methyl]urea (CID 112828675) is 1-(5-methylhexan-2-yl)-3-[(1-phenylcyclopropyl)methyl]urea.
What is the SMILES notation for 1-(5-methylhexan-2-yl)-3-[(1-phenylcyclopropyl)methyl]urea?
The canonical SMILES for 1-(5-methylhexan-2-yl)-3-[(1-phenylcyclopropyl)methyl]urea is CC(C)CCC(C)NC(=O)NCC1(c2ccccc2)CC1.
What is the InChIKey of 1-(5-methylhexan-2-yl)-3-[(1-phenylcyclopropyl)methyl]urea?
The InChIKey is UHNYOLIRFGVGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(2)9-10-15(3)20-17(21)19-13-18(11-12-18)16-7-5-4-6-8-16/h4-8,14-15H,9-13H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-(5-methylhexan-2-yl)-3-[(1-phenylcyclopropyl)methyl]urea?
1-(5-methylhexan-2-yl)-3-[(1-phenylcyclopropyl)methyl]urea has a molecular weight of 288.44 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylhexan-2-yl)-3-[(1-phenylcyclopropyl)methyl]urea is sourced from PubChem (CID 112828675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).