N-(3-hydroxybutyl)-N'-(1-methylindol-6-yl)oxamide

C15H19N3O3 — CID 111490510

IUPACN-(3-hydroxybutyl)-N'-(1-methylindol-6-yl)oxamide
SMILESCC(O)CCNC(=O)C(=O)Nc1ccc2ccn(C)c2c1
InChIInChI=1S/C15H19N3O3/c1-10(19)5-7-16-14(20)15(21)17-12-4-3-11-6-8-18(2)13(11)9-12/h3-4,6,8-10,19H,5,7H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyKABBMZUFOZQQLY-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.00
Rot. Bonds4

About N-(3-hydroxybutyl)-N'-(1-methylindol-6-yl)oxamide

N-(3-hydroxybutyl)-N'-(1-methylindol-6-yl)oxamide (PubChem CID 111490510) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-N'-(1-methylindol-6-yl)oxamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-N'-(1-methylindol-6-yl)oxamide
PubChem CID111490510
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-(3-hydroxybutyl)-N'-(1-methylindol-6-yl)oxamide
SMILESCC(O)CCNC(=O)C(=O)Nc1ccc2ccn(C)c2c1
InChIInChI=1S/C15H19N3O3/c1-10(19)5-7-16-14(20)15(21)17-12-4-3-11-6-8-18(2)13(11)9-12/h3-4,6,8-10,19H,5,7H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyKABBMZUFOZQQLY-UHFFFAOYSA-N
XLogP1.00
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.00
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-(2-hydroxy-4-methylpentyl)-N'-(1-methylindol-6-yl)oxamide
CID 111490471
N-(3-hydroxy-2-methylpropyl)-N'-(1-methylindol-6-yl)oxamide
CID 111490459
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-N'-(1-methylindol-6-yl)oxamide
CID 111798853
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-N'-(1-methylindol-6-yl)oxamide
CID 166232426
N-(3-hydroxybutyl)-N'-[3-(2-phenylethynyl)phenyl]oxamide
CID 111337528
1-(3-hydroxybutyl)-3-naphthalen-2-ylurea
CID 111336742
N'-(4-acetamidophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
CID 121180011
N-(2-hydroxypropyl)-N'-[1-(2-methylpropyl)indol-5-yl]oxamide
CID 111435467
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-(1-methylindol-6-yl)oxamide
CID 111798539
1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methyl-3-(1-methylindol-6-yl)urea
CID 99820657
methyl 5-[(1-methylindol-6-yl)amino]-5-oxopentanoate
CID 75485035
N-(1-methylindol-6-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 122143234

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-N'-(1-methylindol-6-yl)oxamide?
The IUPAC name of N-(3-hydroxybutyl)-N'-(1-methylindol-6-yl)oxamide (CID 111490510) is N-(3-hydroxybutyl)-N'-(1-methylindol-6-yl)oxamide.
What is the SMILES notation for N-(3-hydroxybutyl)-N'-(1-methylindol-6-yl)oxamide?
The canonical SMILES for N-(3-hydroxybutyl)-N'-(1-methylindol-6-yl)oxamide is CC(O)CCNC(=O)C(=O)Nc1ccc2ccn(C)c2c1.
What is the InChIKey of N-(3-hydroxybutyl)-N'-(1-methylindol-6-yl)oxamide?
The InChIKey is KABBMZUFOZQQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10(19)5-7-16-14(20)15(21)17-12-4-3-11-6-8-18(2)13(11)9-12/h3-4,6,8-10,19H,5,7H2,1-2H3,(H,16,20)(H,17,21).
What are the key properties of N-(3-hydroxybutyl)-N'-(1-methylindol-6-yl)oxamide?
N-(3-hydroxybutyl)-N'-(1-methylindol-6-yl)oxamide has a molecular weight of 289.34 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-N'-(1-methylindol-6-yl)oxamide is sourced from PubChem (CID 111490510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).