1-cyclopentyl-3-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]urea

C17H25N3O2 — CID 129373790

IUPAC1-cyclopentyl-3-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]urea
SMILESCN1CCc2cc([C@H](O)CNC(=O)NC3CCCC3)ccc21
InChIInChI=1S/C17H25N3O2/c1-20-9-8-12-10-13(6-7-15(12)20)16(21)11-18-17(22)19-14-4-2-3-5-14/h6-7,10,14,16,21H,2-5,8-9,11H2,1H3,(H2,18,19,22)/t16-/m1/s1
InChIKeyYEUSQPBDWRTGNX-MRXNPFEDSA-N
MW303.41 g/mol
LogP1.95
Rot. Bonds4

About 1-cyclopentyl-3-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]urea

1-cyclopentyl-3-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]urea (PubChem CID 129373790) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]urea
PubChem CID129373790
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-cyclopentyl-3-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]urea
SMILESCN1CCc2cc([C@H](O)CNC(=O)NC3CCCC3)ccc21
InChIInChI=1S/C17H25N3O2/c1-20-9-8-12-10-13(6-7-15(12)20)16(21)11-18-17(22)19-14-4-2-3-5-14/h6-7,10,14,16,21H,2-5,8-9,11H2,1H3,(H2,18,19,22)/t16-/m1/s1
InChIKeyYEUSQPBDWRTGNX-MRXNPFEDSA-N
XLogP1.95
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-3-(oxan-4-yl)urea
CID 100678402
N'-cyclopentyl-N-[(2R)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide
CID 129373749
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylpropanamide
CID 90582111
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 90582117
N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 129373617
cyclopentyl-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 63900130
N'-cycloheptyl-N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide
CID 40890450
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-3,3-dimethylbutanamide
CID 90582123
N'-cyclohexyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 30576636
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-3-phenylpropanamide
CID 90582153
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]furan-3-carboxamide
CID 90582320
1-cyclopentyl-3-[(2S)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]urea
CID 97106056

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]urea?
The IUPAC name of 1-cyclopentyl-3-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]urea (CID 129373790) is 1-cyclopentyl-3-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]urea is CN1CCc2cc([C@H](O)CNC(=O)NC3CCCC3)ccc21.
What is the InChIKey of 1-cyclopentyl-3-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]urea?
The InChIKey is YEUSQPBDWRTGNX-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-20-9-8-12-10-13(6-7-15(12)20)16(21)11-18-17(22)19-14-4-2-3-5-14/h6-7,10,14,16,21H,2-5,8-9,11H2,1H3,(H2,18,19,22)/t16-/m1/s1.
What are the key properties of 1-cyclopentyl-3-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]urea?
1-cyclopentyl-3-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]urea has a molecular weight of 303.41 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]urea is sourced from PubChem (CID 129373790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).