1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-pyridin-2-ylpropyl)urea

C16H25N3O2 — CID 75432521

IUPAC1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-pyridin-2-ylpropyl)urea
SMILESCN(CC1CCCC1O)C(=O)NCCCc1ccccn1
InChIInChI=1S/C16H25N3O2/c1-19(12-13-6-4-9-15(13)20)16(21)18-11-5-8-14-7-2-3-10-17-14/h2-3,7,10,13,15,20H,4-6,8-9,11-12H2,1H3,(H,18,21)
InChIKeyNMXALGCJPVNHJD-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.82
Rot. Bonds6

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

1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-pyridin-2-ylpropyl)urea (PubChem CID 75432521) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-pyridin-2-ylpropyl)urea.

Molecular Properties

Compound Name1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-pyridin-2-ylpropyl)urea
PubChem CID75432521
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-pyridin-2-ylpropyl)urea
SMILESCN(CC1CCCC1O)C(=O)NCCCc1ccccn1
InChIInChI=1S/C16H25N3O2/c1-19(12-13-6-4-9-15(13)20)16(21)18-11-5-8-14-7-2-3-10-17-14/h2-3,7,10,13,15,20H,4-6,8-9,11-12H2,1H3,(H,18,21)
InChIKeyNMXALGCJPVNHJD-UHFFFAOYSA-N
XLogP1.82
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 109397532
3-[2-(2-chlorophenoxy)ethyl]-1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-1-methylurea
CID 97242852
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(2-phenylmethoxyethyl)urea
CID 109398797
1-cyclopentyl-3-(3-pyridin-2-ylpropyl)urea
CID 110661120
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea
CID 109398586
1-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(1R)-3-methyl-1-pyridin-2-ylbutyl]urea
CID 97242838
1-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(1S)-1-pyridin-2-ylbutyl]urea
CID 97326954
N'-[(2-hydroxycyclohexyl)methyl]-N'-methyl-N-(3-phenylpropyl)oxamide
CID 110003852
3-[2-[4-(dimethylamino)phenyl]ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 110012105
(1S,3R,4R)-3-amino-4-hydroxy-N-(3-pyridin-2-ylpropyl)cyclopentane-1-carboxamide
CID 155501002
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1,2-oxazol-3-ylmethyl)urea
CID 75432520

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-pyridin-2-ylpropyl)urea?
The IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-pyridin-2-ylpropyl)urea (CID 75432521) is 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-pyridin-2-ylpropyl)urea.
What is the SMILES notation for 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-pyridin-2-ylpropyl)urea?
The canonical SMILES for 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-pyridin-2-ylpropyl)urea is CN(CC1CCCC1O)C(=O)NCCCc1ccccn1.
What is the InChIKey of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-pyridin-2-ylpropyl)urea?
The InChIKey is NMXALGCJPVNHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-19(12-13-6-4-9-15(13)20)16(21)18-11-5-8-14-7-2-3-10-17-14/h2-3,7,10,13,15,20H,4-6,8-9,11-12H2,1H3,(H,18,21).
What are the key properties of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-pyridin-2-ylpropyl)urea?
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-pyridin-2-ylpropyl)urea has a molecular weight of 291.39 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-pyridin-2-ylpropyl)urea is sourced from PubChem (CID 75432521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).