1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-(1-methyl-2,3-dihydroindol-4-yl)urea

C17H25N3O2 — CID 98852990

IUPAC1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-(1-methyl-2,3-dihydroindol-4-yl)urea
SMILESCN(C[C@@H]1CCC[C@H]1O)C(=O)Nc1cccc2c1CCN2C
InChIInChI=1S/C17H25N3O2/c1-19-10-9-13-14(6-4-7-15(13)19)18-17(22)20(2)11-12-5-3-8-16(12)21/h4,6-7,12,16,21H,3,5,8-11H2,1-2H3,(H,18,22)/t12-,16+/m0/s1
InChIKeyNOVVQPINBXGBKO-BLLLJJGKSA-N
MW303.41 g/mol
LogP2.30
Rot. Bonds3

About 1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-(1-methyl-2,3-dihydroindol-4-yl)urea

1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-(1-methyl-2,3-dihydroindol-4-yl)urea (PubChem CID 98852990) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-(1-methyl-2,3-dihydroindol-4-yl)urea.

Molecular Properties

Compound Name1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-(1-methyl-2,3-dihydroindol-4-yl)urea
PubChem CID98852990
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-(1-methyl-2,3-dihydroindol-4-yl)urea
SMILESCN(C[C@@H]1CCC[C@H]1O)C(=O)Nc1cccc2c1CCN2C
InChIInChI=1S/C17H25N3O2/c1-19-10-9-13-14(6-4-7-15(13)19)18-17(22)20(2)11-12-5-3-8-16(12)21/h4,6-7,12,16,21H,3,5,8-11H2,1-2H3,(H,18,22)/t12-,16+/m0/s1
InChIKeyNOVVQPINBXGBKO-BLLLJJGKSA-N
XLogP2.30
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-(1-methyl-2,3-dihydroindol-4-yl)urea with MolForge

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Related Compounds

3-(2-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109395391
3-[3-chloro-2-(dimethylamino)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109396977
3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109396961
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(2-propan-2-yloxyphenyl)urea
CID 109396973
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-4-yl)urea
CID 110017230
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(4-piperidin-1-ylphenyl)urea
CID 109396901
3-[1-(2-fluorophenyl)pyrazol-4-yl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109397117
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[3-(4-methylpiperidin-1-yl)phenyl]urea
CID 109397072
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1-phenylpiperidin-4-yl)urea
CID 109398500
1-[(2-hydroxycyclopentyl)methyl]-3-(4-methoxy-2-methylphenyl)-1-methylurea
CID 109397032
1-(1-methyl-2,3-dihydroindol-4-yl)-3-(1-propanoylpyrrolidin-3-yl)urea
CID 75381448
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[4-(triazol-1-yl)phenyl]urea
CID 109397030

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-(1-methyl-2,3-dihydroindol-4-yl)urea?
The IUPAC name of 1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-(1-methyl-2,3-dihydroindol-4-yl)urea (CID 98852990) is 1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-(1-methyl-2,3-dihydroindol-4-yl)urea.
What is the SMILES notation for 1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-(1-methyl-2,3-dihydroindol-4-yl)urea?
The canonical SMILES for 1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-(1-methyl-2,3-dihydroindol-4-yl)urea is CN(C[C@@H]1CCC[C@H]1O)C(=O)Nc1cccc2c1CCN2C.
What is the InChIKey of 1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-(1-methyl-2,3-dihydroindol-4-yl)urea?
The InChIKey is NOVVQPINBXGBKO-BLLLJJGKSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-19-10-9-13-14(6-4-7-15(13)19)18-17(22)20(2)11-12-5-3-8-16(12)21/h4,6-7,12,16,21H,3,5,8-11H2,1-2H3,(H,18,22)/t12-,16+/m0/s1.
What are the key properties of 1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-(1-methyl-2,3-dihydroindol-4-yl)urea?
1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-(1-methyl-2,3-dihydroindol-4-yl)urea has a molecular weight of 303.41 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-(1-methyl-2,3-dihydroindol-4-yl)urea is sourced from PubChem (CID 98852990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).