4-(5-amino-2-oxo-3H-indol-1-yl)-N-methylbutanamide

C13H17N3O2 — CID 63892495

IUPAC4-(5-amino-2-oxo-3H-indol-1-yl)-N-methylbutanamide
SMILESCNC(=O)CCCN1C(=O)Cc2cc(N)ccc21
InChIInChI=1S/C13H17N3O2/c1-15-12(17)3-2-6-16-11-5-4-10(14)7-9(11)8-13(16)18/h4-5,7H,2-3,6,8,14H2,1H3,(H,15,17)
InChIKeySFPYREQRLOQOCE-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.68
Rot. Bonds4

About 4-(5-amino-2-oxo-3H-indol-1-yl)-N-methylbutanamide

4-(5-amino-2-oxo-3H-indol-1-yl)-N-methylbutanamide (PubChem CID 63892495) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-(5-amino-2-oxo-3H-indol-1-yl)-N-methylbutanamide.

Molecular Properties

Compound Name4-(5-amino-2-oxo-3H-indol-1-yl)-N-methylbutanamide
PubChem CID63892495
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name4-(5-amino-2-oxo-3H-indol-1-yl)-N-methylbutanamide
SMILESCNC(=O)CCCN1C(=O)Cc2cc(N)ccc21
InChIInChI=1S/C13H17N3O2/c1-15-12(17)3-2-6-16-11-5-4-10(14)7-9(11)8-13(16)18/h4-5,7H,2-3,6,8,14H2,1H3,(H,15,17)
InChIKeySFPYREQRLOQOCE-UHFFFAOYSA-N
XLogP0.68
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-methylbutanamide
CID 63892702
5-amino-1-(4-oxopentyl)-3H-indol-2-one
CID 115236208
5-amino-1-decyl-3H-indol-2-one
CID 62221874
5-amino-1-nonyl-3H-indol-2-one
CID 43446434
5-amino-1-(3-oxobutyl)-3H-indol-2-one
CID 115235380
4-(5-amino-2,3-dihydroindol-1-yl)-N-methylbutanamide
CID 63892508
1-[4-(methylamino)-4-oxobutyl]-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
CID 102711326
2-(5-amino-2-oxo-3H-indol-1-yl)-N-(cyanomethyl)acetamide
CID 43382542
1-(4-aminobutyl)-5-propanoyl-3H-indol-2-one
CID 84758277
2-(5-amino-2-oxo-3H-indol-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 61486326
5-amino-1-(sulfanylmethyl)-3H-indol-2-one
CID 115227602
5-amino-1-(3,3,3-trifluoropropyl)-3H-indol-2-one
CID 64553558

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-2-oxo-3H-indol-1-yl)-N-methylbutanamide?
The IUPAC name of 4-(5-amino-2-oxo-3H-indol-1-yl)-N-methylbutanamide (CID 63892495) is 4-(5-amino-2-oxo-3H-indol-1-yl)-N-methylbutanamide.
What is the SMILES notation for 4-(5-amino-2-oxo-3H-indol-1-yl)-N-methylbutanamide?
The canonical SMILES for 4-(5-amino-2-oxo-3H-indol-1-yl)-N-methylbutanamide is CNC(=O)CCCN1C(=O)Cc2cc(N)ccc21.
What is the InChIKey of 4-(5-amino-2-oxo-3H-indol-1-yl)-N-methylbutanamide?
The InChIKey is SFPYREQRLOQOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-15-12(17)3-2-6-16-11-5-4-10(14)7-9(11)8-13(16)18/h4-5,7H,2-3,6,8,14H2,1H3,(H,15,17).
What are the key properties of 4-(5-amino-2-oxo-3H-indol-1-yl)-N-methylbutanamide?
4-(5-amino-2-oxo-3H-indol-1-yl)-N-methylbutanamide has a molecular weight of 247.30 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-2-oxo-3H-indol-1-yl)-N-methylbutanamide is sourced from PubChem (CID 63892495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).