1-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-3-(oxan-4-yl)urea

C17H25N3O3 — CID 100678402

IUPAC1-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-3-(oxan-4-yl)urea
SMILESCN1CCc2cc([C@H](O)CNC(=O)NC3CCOCC3)ccc21
InChIInChI=1S/C17H25N3O3/c1-20-7-4-12-10-13(2-3-15(12)20)16(21)11-18-17(22)19-14-5-8-23-9-6-14/h2-3,10,14,16,21H,4-9,11H2,1H3,(H2,18,19,22)/t16-/m1/s1
InChIKeyXRPIACFWMOUUAO-MRXNPFEDSA-N
MW319.41 g/mol
LogP1.19
Rot. Bonds4

About 1-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-3-(oxan-4-yl)urea

1-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-3-(oxan-4-yl)urea (PubChem CID 100678402) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-3-(oxan-4-yl)urea.

Molecular Properties

Compound Name1-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-3-(oxan-4-yl)urea
PubChem CID100678402
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name1-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-3-(oxan-4-yl)urea
SMILESCN1CCc2cc([C@H](O)CNC(=O)NC3CCOCC3)ccc21
InChIInChI=1S/C17H25N3O3/c1-20-7-4-12-10-13(2-3-15(12)20)16(21)11-18-17(22)19-14-5-8-23-9-6-14/h2-3,10,14,16,21H,4-9,11H2,1H3,(H2,18,19,22)/t16-/m1/s1
InChIKeyXRPIACFWMOUUAO-MRXNPFEDSA-N
XLogP1.19
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-3-(oxan-4-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopentyl-3-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]urea
CID 129373790
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
1-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(oxan-4-yl)urea
CID 100678473
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
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-3,3-dimethylbutanamide
CID 90582123
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]furan-3-carboxamide
CID 90582320
2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]acetamide
CID 129373664
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-3-phenylpropanamide
CID 90582153
4-cyano-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzamide
CID 90582148
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-phenylbutanamide
CID 119099576

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-3-(oxan-4-yl)urea?
The IUPAC name of 1-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-3-(oxan-4-yl)urea (CID 100678402) is 1-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-3-(oxan-4-yl)urea.
What is the SMILES notation for 1-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-3-(oxan-4-yl)urea?
The canonical SMILES for 1-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-3-(oxan-4-yl)urea is CN1CCc2cc([C@H](O)CNC(=O)NC3CCOCC3)ccc21.
What is the InChIKey of 1-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-3-(oxan-4-yl)urea?
The InChIKey is XRPIACFWMOUUAO-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-20-7-4-12-10-13(2-3-15(12)20)16(21)11-18-17(22)19-14-5-8-23-9-6-14/h2-3,10,14,16,21H,4-9,11H2,1H3,(H2,18,19,22)/t16-/m1/s1.
What are the key properties of 1-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-3-(oxan-4-yl)urea?
1-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-3-(oxan-4-yl)urea has a molecular weight of 319.41 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-3-(oxan-4-yl)urea is sourced from PubChem (CID 100678402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).