1-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(3-propan-2-yloxyphenyl)methyl]urea

C18H28N2O3 — CID 97326930

IUPAC1-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(3-propan-2-yloxyphenyl)methyl]urea
SMILESCC(C)Oc1cccc(CNC(=O)N(C)C[C@@H]2CCC[C@@H]2O)c1
InChIInChI=1S/C18H28N2O3/c1-13(2)23-16-8-4-6-14(10-16)11-19-18(22)20(3)12-15-7-5-9-17(15)21/h4,6,8,10,13,15,17,21H,5,7,9,11-12H2,1-3H3,(H,19,22)/t15-,17-/m0/s1
InChIKeyMNRVKZGOOAEHCS-RDJZCZTQSA-N
MW320.43 g/mol
LogP2.78
Rot. Bonds6

About 1-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(3-propan-2-yloxyphenyl)methyl]urea

1-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(3-propan-2-yloxyphenyl)methyl]urea (PubChem CID 97326930) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 1-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(3-propan-2-yloxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(3-propan-2-yloxyphenyl)methyl]urea
PubChem CID97326930
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name1-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(3-propan-2-yloxyphenyl)methyl]urea
SMILESCC(C)Oc1cccc(CNC(=O)N(C)C[C@@H]2CCC[C@@H]2O)c1
InChIInChI=1S/C18H28N2O3/c1-13(2)23-16-8-4-6-14(10-16)11-19-18(22)20(3)12-15-7-5-9-17(15)21/h4,6,8,10,13,15,17,21H,5,7,9,11-12H2,1-3H3,(H,19,22)/t15-,17-/m0/s1
InChIKeyMNRVKZGOOAEHCS-RDJZCZTQSA-N
XLogP2.78
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(3-propan-2-yloxyphenyl)methyl]urea with MolForge

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Related Compounds

3-[(3-cyanophenyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109397574
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(4-methyl-2-propan-2-yloxyphenyl)methyl]urea
CID 109398837
1-[(2-hydroxycyclohexyl)methyl]-3-[(3-methoxy-5-methylphenyl)methyl]-1-methylurea
CID 110012782
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(2-propan-2-yloxyphenyl)urea
CID 109396973
3-[(3-chloro-4-methoxyphenyl)methyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 110012767
1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 97242726
1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 97242725
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-phenylpropyl)urea
CID 109397447
3-[(2,5-difluorophenyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398607
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(2-phenylmethoxyethyl)urea
CID 109398797
3-[(6-chloro-3-pyridinyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109397875
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 109398502

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(3-propan-2-yloxyphenyl)methyl]urea?
The IUPAC name of 1-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(3-propan-2-yloxyphenyl)methyl]urea (CID 97326930) is 1-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(3-propan-2-yloxyphenyl)methyl]urea.
What is the SMILES notation for 1-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(3-propan-2-yloxyphenyl)methyl]urea?
The canonical SMILES for 1-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(3-propan-2-yloxyphenyl)methyl]urea is CC(C)Oc1cccc(CNC(=O)N(C)C[C@@H]2CCC[C@@H]2O)c1.
What is the InChIKey of 1-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(3-propan-2-yloxyphenyl)methyl]urea?
The InChIKey is MNRVKZGOOAEHCS-RDJZCZTQSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-13(2)23-16-8-4-6-14(10-16)11-19-18(22)20(3)12-15-7-5-9-17(15)21/h4,6,8,10,13,15,17,21H,5,7,9,11-12H2,1-3H3,(H,19,22)/t15-,17-/m0/s1.
What are the key properties of 1-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(3-propan-2-yloxyphenyl)methyl]urea?
1-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(3-propan-2-yloxyphenyl)methyl]urea has a molecular weight of 320.43 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(3-propan-2-yloxyphenyl)methyl]urea is sourced from PubChem (CID 97326930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).