N'-cyclopentyl-N-[(2R)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide

C18H25N3O3 — CID 129373749

IUPACN'-cyclopentyl-N-[(2R)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide
SMILESCN1CCc2cc([C@@H](O)CNC(=O)C(=O)NC3CCCC3)ccc21
InChIInChI=1S/C18H25N3O3/c1-21-9-8-12-10-13(6-7-15(12)21)16(22)11-19-17(23)18(24)20-14-4-2-3-5-14/h6-7,10,14,16,22H,2-5,8-9,11H2,1H3,(H,19,23)(H,20,24)/t16-/m0/s1
InChIKeyXDBDBMLFKNOKDZ-INIZCTEOSA-N
MW331.42 g/mol
LogP0.89
Rot. Bonds4

About N'-cyclopentyl-N-[(2R)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide

N'-cyclopentyl-N-[(2R)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide (PubChem CID 129373749) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N'-cyclopentyl-N-[(2R)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-cyclopentyl-N-[(2R)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide
PubChem CID129373749
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN'-cyclopentyl-N-[(2R)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide
SMILESCN1CCc2cc([C@@H](O)CNC(=O)C(=O)NC3CCCC3)ccc21
InChIInChI=1S/C18H25N3O3/c1-21-9-8-12-10-13(6-7-15(12)21)16(22)11-19-17(23)18(24)20-14-4-2-3-5-14/h6-7,10,14,16,22H,2-5,8-9,11H2,1H3,(H,19,23)(H,20,24)/t16-/m0/s1
InChIKeyXDBDBMLFKNOKDZ-INIZCTEOSA-N
XLogP0.89
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-3-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]urea
CID 129373790
N'-cycloheptyl-N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide
CID 40890450
N'-cyclohexyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 30576636
1-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-3-(oxan-4-yl)urea
CID 100678402
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylpropanamide
CID 90582111
N'-(4-chlorophenyl)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide
CID 90582509
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'-(2-fluorophenyl)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide
CID 90582486
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(3-methylphenyl)oxamide
CID 90582484
N'-cycloheptyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
CID 121179980

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-[(2R)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide?
The IUPAC name of N'-cyclopentyl-N-[(2R)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide (CID 129373749) is N'-cyclopentyl-N-[(2R)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide.
What is the SMILES notation for N'-cyclopentyl-N-[(2R)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide?
The canonical SMILES for N'-cyclopentyl-N-[(2R)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide is CN1CCc2cc([C@@H](O)CNC(=O)C(=O)NC3CCCC3)ccc21.
What is the InChIKey of N'-cyclopentyl-N-[(2R)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide?
The InChIKey is XDBDBMLFKNOKDZ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-21-9-8-12-10-13(6-7-15(12)21)16(22)11-19-17(23)18(24)20-14-4-2-3-5-14/h6-7,10,14,16,22H,2-5,8-9,11H2,1H3,(H,19,23)(H,20,24)/t16-/m0/s1.
What are the key properties of N'-cyclopentyl-N-[(2R)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide?
N'-cyclopentyl-N-[(2R)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide has a molecular weight of 331.42 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-[(2R)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide is sourced from PubChem (CID 129373749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).