1-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[(1S,2S)-2-methylcyclopentyl]urea

C15H24N2O3 — CID 96518695

IUPAC1-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[(1S,2S)-2-methylcyclopentyl]urea
SMILESCc1ccc([C@](C)(O)CNC(=O)N[C@H]2CCC[C@@H]2C)o1
InChIInChI=1S/C15H24N2O3/c1-10-5-4-6-12(10)17-14(18)16-9-15(3,19)13-8-7-11(2)20-13/h7-8,10,12,19H,4-6,9H2,1-3H3,(H2,16,17,18)/t10-,12-,15+/m0/s1
InChIKeyPOKWPUGYCHIANA-ITDIGPHOSA-N
MW280.37 g/mol
LogP2.28
Rot. Bonds4

About 1-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[(1S,2S)-2-methylcyclopentyl]urea

1-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[(1S,2S)-2-methylcyclopentyl]urea (PubChem CID 96518695) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[(1S,2S)-2-methylcyclopentyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[(1S,2S)-2-methylcyclopentyl]urea
PubChem CID96518695
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[(1S,2S)-2-methylcyclopentyl]urea
SMILESCc1ccc([C@](C)(O)CNC(=O)N[C@H]2CCC[C@@H]2C)o1
InChIInChI=1S/C15H24N2O3/c1-10-5-4-6-12(10)17-14(18)16-9-15(3,19)13-8-7-11(2)20-13/h7-8,10,12,19H,4-6,9H2,1-3H3,(H2,16,17,18)/t10-,12-,15+/m0/s1
InChIKeyPOKWPUGYCHIANA-ITDIGPHOSA-N
XLogP2.28
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[(1S,2S)-2-methylcyclopentyl]urea with MolForge

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Related Compounds

1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-methylcyclopentyl)urea
CID 71869890
1-(dicyclopropylmethyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111479690
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-pyridin-4-ylurea
CID 111486871
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]prop-2-enamide
CID 126814841
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 111912176
2-ethyl-N-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide
CID 96521441
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methoxyacetamide
CID 111481021
1-(2-chlorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111472648
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-pyrrolidin-1-ylphenyl)urea
CID 111473356
N-[4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 111481264
2-(3,4-dihydro-2H-chromen-4-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide
CID 111481648
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1,2-oxazole-3-carboxamide
CID 111481145

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[(1S,2S)-2-methylcyclopentyl]urea?
The IUPAC name of 1-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[(1S,2S)-2-methylcyclopentyl]urea (CID 96518695) is 1-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[(1S,2S)-2-methylcyclopentyl]urea.
What is the SMILES notation for 1-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[(1S,2S)-2-methylcyclopentyl]urea?
The canonical SMILES for 1-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[(1S,2S)-2-methylcyclopentyl]urea is Cc1ccc([C@](C)(O)CNC(=O)N[C@H]2CCC[C@@H]2C)o1.
What is the InChIKey of 1-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[(1S,2S)-2-methylcyclopentyl]urea?
The InChIKey is POKWPUGYCHIANA-ITDIGPHOSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-10-5-4-6-12(10)17-14(18)16-9-15(3,19)13-8-7-11(2)20-13/h7-8,10,12,19H,4-6,9H2,1-3H3,(H2,16,17,18)/t10-,12-,15+/m0/s1.
What are the key properties of 1-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[(1S,2S)-2-methylcyclopentyl]urea?
1-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[(1S,2S)-2-methylcyclopentyl]urea has a molecular weight of 280.37 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[(1S,2S)-2-methylcyclopentyl]urea is sourced from PubChem (CID 96518695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).