N-(2-hydroxy-4-methylpentyl)-N'-(1-methylindol-6-yl)oxamide

C17H23N3O3 — CID 111490471

IUPACN-(2-hydroxy-4-methylpentyl)-N'-(1-methylindol-6-yl)oxamide
SMILESCC(C)CC(O)CNC(=O)C(=O)Nc1ccc2ccn(C)c2c1
InChIInChI=1S/C17H23N3O3/c1-11(2)8-14(21)10-18-16(22)17(23)19-13-5-4-12-6-7-20(3)15(12)9-13/h4-7,9,11,14,21H,8,10H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyRKFXZFBWZJPWFF-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.64
Rot. Bonds5

About N-(2-hydroxy-4-methylpentyl)-N'-(1-methylindol-6-yl)oxamide

N-(2-hydroxy-4-methylpentyl)-N'-(1-methylindol-6-yl)oxamide (PubChem CID 111490471) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylpentyl)-N'-(1-methylindol-6-yl)oxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylpentyl)-N'-(1-methylindol-6-yl)oxamide
PubChem CID111490471
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-(2-hydroxy-4-methylpentyl)-N'-(1-methylindol-6-yl)oxamide
SMILESCC(C)CC(O)CNC(=O)C(=O)Nc1ccc2ccn(C)c2c1
InChIInChI=1S/C17H23N3O3/c1-11(2)8-14(21)10-18-16(22)17(23)19-13-5-4-12-6-7-20(3)15(12)9-13/h4-7,9,11,14,21H,8,10H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyRKFXZFBWZJPWFF-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
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-(3-hydroxy-2-methylpropyl)-N'-(1-methylindol-6-yl)oxamide
CID 111490459
N-(3-hydroxybutyl)-N'-(1-methylindol-6-yl)oxamide
CID 111490510
N'-(3-ethylphenyl)-N-(2-hydroxy-4-methylpentyl)oxamide
CID 110910480
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-N'-(1-methylindol-6-yl)oxamide
CID 166232426
N-(2-hydroxypropyl)-N'-[1-(2-methylpropyl)indol-5-yl]oxamide
CID 111435467
N'-(4-acetamidophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
CID 121180011
N'-(3-chloro-4-fluorophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
CID 91817742
N'-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N-(2-methylpropyl)oxamide
CID 121179967
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-N'-(1-methylindol-6-yl)oxamide
CID 111798853
N'-(3,4-dimethylphenyl)-N-(2-methylpropyl)oxamide
CID 3832963
N-[(2R,3R)-2-hydroxy-3-methylpentyl]-N'-(1-propylindol-5-yl)oxamide
CID 95773561
N-(1-methylindol-6-yl)-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 75490589

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylpentyl)-N'-(1-methylindol-6-yl)oxamide?
The IUPAC name of N-(2-hydroxy-4-methylpentyl)-N'-(1-methylindol-6-yl)oxamide (CID 111490471) is N-(2-hydroxy-4-methylpentyl)-N'-(1-methylindol-6-yl)oxamide.
What is the SMILES notation for N-(2-hydroxy-4-methylpentyl)-N'-(1-methylindol-6-yl)oxamide?
The canonical SMILES for N-(2-hydroxy-4-methylpentyl)-N'-(1-methylindol-6-yl)oxamide is CC(C)CC(O)CNC(=O)C(=O)Nc1ccc2ccn(C)c2c1.
What is the InChIKey of N-(2-hydroxy-4-methylpentyl)-N'-(1-methylindol-6-yl)oxamide?
The InChIKey is RKFXZFBWZJPWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-11(2)8-14(21)10-18-16(22)17(23)19-13-5-4-12-6-7-20(3)15(12)9-13/h4-7,9,11,14,21H,8,10H2,1-3H3,(H,18,22)(H,19,23).
What are the key properties of N-(2-hydroxy-4-methylpentyl)-N'-(1-methylindol-6-yl)oxamide?
N-(2-hydroxy-4-methylpentyl)-N'-(1-methylindol-6-yl)oxamide has a molecular weight of 317.39 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylpentyl)-N'-(1-methylindol-6-yl)oxamide is sourced from PubChem (CID 111490471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).