N'-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N-(2-methylpropyl)oxamide

C17H23N3O3 — CID 121179967

IUPACN'-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N-(2-methylpropyl)oxamide
SMILESCC(C)CNC(=O)C(=O)NCC(O)c1ccc2c(ccn2C)c1
InChIInChI=1S/C17H23N3O3/c1-11(2)9-18-16(22)17(23)19-10-15(21)13-4-5-14-12(8-13)6-7-20(14)3/h4-8,11,15,21H,9-10H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyPBVPEAGOEMYEDE-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.10
Rot. Bonds5

About N'-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N-(2-methylpropyl)oxamide

N'-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N-(2-methylpropyl)oxamide (PubChem CID 121179967) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N'-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N-(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN'-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N-(2-methylpropyl)oxamide
PubChem CID121179967
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN'-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N-(2-methylpropyl)oxamide
SMILESCC(C)CNC(=O)C(=O)NCC(O)c1ccc2c(ccn2C)c1
InChIInChI=1S/C17H23N3O3/c1-11(2)9-18-16(22)17(23)19-10-15(21)13-4-5-14-12(8-13)6-7-20(14)3/h4-8,11,15,21H,9-10H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyPBVPEAGOEMYEDE-UHFFFAOYSA-N
XLogP1.10
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-tert-butyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
CID 121179966
N'-(4-acetamidophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
CID 121180011
N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 124843514
N'-cycloheptyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
CID 121179980
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N'-(2-methylphenyl)oxamide
CID 121179976
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 121180021
N'-(3-chloro-4-fluorophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
CID 91817742
methyl 4-[[2-hydroxy-2-(1-methylindol-5-yl)ethyl]carbamoyl]benzoate
CID 91817661
2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]acetamide
CID 124760949
2,6-difluoro-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide
CID 124843487
4-ethyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide
CID 121179729
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2-iodobenzamide
CID 121179834

Frequently Asked Questions

What is the IUPAC name of N'-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N-(2-methylpropyl)oxamide?
The IUPAC name of N'-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N-(2-methylpropyl)oxamide (CID 121179967) is N'-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N-(2-methylpropyl)oxamide.
What is the SMILES notation for N'-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N-(2-methylpropyl)oxamide?
The canonical SMILES for N'-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N-(2-methylpropyl)oxamide is CC(C)CNC(=O)C(=O)NCC(O)c1ccc2c(ccn2C)c1.
What is the InChIKey of N'-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N-(2-methylpropyl)oxamide?
The InChIKey is PBVPEAGOEMYEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-11(2)9-18-16(22)17(23)19-10-15(21)13-4-5-14-12(8-13)6-7-20(14)3/h4-8,11,15,21H,9-10H2,1-3H3,(H,18,22)(H,19,23).
What are the key properties of N'-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N-(2-methylpropyl)oxamide?
N'-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N-(2-methylpropyl)oxamide has a molecular weight of 317.39 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N-(2-methylpropyl)oxamide is sourced from PubChem (CID 121179967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).