1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-phenylpropyl)urea

C17H26N2O2 — CID 109397447

IUPAC1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-phenylpropyl)urea
SMILESCN(CC1CCCC1O)C(=O)NCCCc1ccccc1
InChIInChI=1S/C17H26N2O2/c1-19(13-15-10-5-11-16(15)20)17(21)18-12-6-9-14-7-3-2-4-8-14/h2-4,7-8,15-16,20H,5-6,9-13H2,1H3,(H,18,21)
InChIKeyDKAXPCUEDCVHKB-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.42
Rot. Bonds6

About 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-phenylpropyl)urea

1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-phenylpropyl)urea (PubChem CID 109397447) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-phenylpropyl)urea
PubChem CID109397447
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-phenylpropyl)urea
SMILESCN(CC1CCCC1O)C(=O)NCCCc1ccccc1
InChIInChI=1S/C17H26N2O2/c1-19(13-15-10-5-11-16(15)20)17(21)18-12-6-9-14-7-3-2-4-8-14/h2-4,7-8,15-16,20H,5-6,9-13H2,1H3,(H,18,21)
InChIKeyDKAXPCUEDCVHKB-UHFFFAOYSA-N
XLogP2.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[(2-hydroxycyclohexyl)methyl]-N'-methyl-N-(3-phenylpropyl)oxamide
CID 110003852
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide
CID 109398438
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-pyridin-2-ylpropyl)urea
CID 75432521
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(2-phenylmethoxyethyl)urea
CID 109398797
3-[2-(4-ethylphenyl)ethyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398672
3-[2-[4-(dimethylamino)phenyl]ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 110012105
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 109397532
3-[3-(1H-benzimidazol-2-yl)propyl]-1-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-1-methylurea
CID 99578317
3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398829
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea
CID 109398586
3-[2-(2-chlorophenoxy)ethyl]-1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-1-methylurea
CID 97242852
3-(3-cyclopentylpropyl)-1-methyl-1-(2-phenylethyl)urea
CID 87007292

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-phenylpropyl)urea?
The IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-phenylpropyl)urea (CID 109397447) is 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-phenylpropyl)urea.
What is the SMILES notation for 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-phenylpropyl)urea?
The canonical SMILES for 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-phenylpropyl)urea is CN(CC1CCCC1O)C(=O)NCCCc1ccccc1.
What is the InChIKey of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-phenylpropyl)urea?
The InChIKey is DKAXPCUEDCVHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-19(13-15-10-5-11-16(15)20)17(21)18-12-6-9-14-7-3-2-4-8-14/h2-4,7-8,15-16,20H,5-6,9-13H2,1H3,(H,18,21).
What are the key properties of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-phenylpropyl)urea?
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-phenylpropyl)urea has a molecular weight of 290.41 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-phenylpropyl)urea is sourced from PubChem (CID 109397447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).