4-amino-N-(1,3,3-trimethyl-2-oxoindol-5-yl)butanamide

C15H21N3O2 — CID 98033831

IUPAC4-amino-N-(1,3,3-trimethyl-2-oxoindol-5-yl)butanamide
SMILESCN1C(=O)C(C)(C)c2cc(NC(=O)CCCN)ccc21
InChIInChI=1S/C15H21N3O2/c1-15(2)11-9-10(17-13(19)5-4-8-16)6-7-12(11)18(3)14(15)20/h6-7,9H,4-5,8,16H2,1-3H3,(H,17,19)
InChIKeyHRZODVCZSQESAF-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.62
Rot. Bonds4

About 4-amino-N-(1,3,3-trimethyl-2-oxoindol-5-yl)butanamide

4-amino-N-(1,3,3-trimethyl-2-oxoindol-5-yl)butanamide (PubChem CID 98033831) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-amino-N-(1,3,3-trimethyl-2-oxoindol-5-yl)butanamide.

Molecular Properties

Compound Name4-amino-N-(1,3,3-trimethyl-2-oxoindol-5-yl)butanamide
PubChem CID98033831
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-amino-N-(1,3,3-trimethyl-2-oxoindol-5-yl)butanamide
SMILESCN1C(=O)C(C)(C)c2cc(NC(=O)CCCN)ccc21
InChIInChI=1S/C15H21N3O2/c1-15(2)11-9-10(17-13(19)5-4-8-16)6-7-12(11)18(3)14(15)20/h6-7,9H,4-5,8,16H2,1-3H3,(H,17,19)
InChIKeyHRZODVCZSQESAF-UHFFFAOYSA-N
XLogP1.62
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1,3,3-trimethyl-2-oxoindol-5-yl)thiourea
CID 169359637
2-(3-fluorophenyl)-N-(1,3,3-trimethyl-2-oxoindol-5-yl)acetamide
CID 110713676
4-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide
CID 82501321
5-(2-aminoacetyl)-1,3,3-trimethylindol-2-one
CID 82495676
6-oxo-N-(1,3,3-trimethyl-2-oxoindol-5-yl)-1H-pyridazine-3-carboxamide
CID 110742184
1-acetyl-N-(1,3,3-trimethyl-2-oxoindol-5-yl)piperidine-4-carboxamide
CID 110742190
N-[2-(1,3,3-trimethyl-2-oxoindol-5-yl)ethyl]pentanamide
CID 110790328
4-amino-N-(4-bromo-3-methylphenyl)butanamide
CID 22692281
4-amino-N-(4-fluoro-3-methylphenyl)butanamide;hydrochloride
CID 119280533
4-amino-N-[4-(propanoylamino)phenyl]butanamide;hydrochloride
CID 119296184
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-aminobutanamide;hydrochloride
CID 119271758
4-amino-N-(3,4-dichlorophenyl)butanamide;hydrochloride
CID 119262031

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,3,3-trimethyl-2-oxoindol-5-yl)butanamide?
The IUPAC name of 4-amino-N-(1,3,3-trimethyl-2-oxoindol-5-yl)butanamide (CID 98033831) is 4-amino-N-(1,3,3-trimethyl-2-oxoindol-5-yl)butanamide.
What is the SMILES notation for 4-amino-N-(1,3,3-trimethyl-2-oxoindol-5-yl)butanamide?
The canonical SMILES for 4-amino-N-(1,3,3-trimethyl-2-oxoindol-5-yl)butanamide is CN1C(=O)C(C)(C)c2cc(NC(=O)CCCN)ccc21.
What is the InChIKey of 4-amino-N-(1,3,3-trimethyl-2-oxoindol-5-yl)butanamide?
The InChIKey is HRZODVCZSQESAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-15(2)11-9-10(17-13(19)5-4-8-16)6-7-12(11)18(3)14(15)20/h6-7,9H,4-5,8,16H2,1-3H3,(H,17,19).
What are the key properties of 4-amino-N-(1,3,3-trimethyl-2-oxoindol-5-yl)butanamide?
4-amino-N-(1,3,3-trimethyl-2-oxoindol-5-yl)butanamide has a molecular weight of 275.35 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,3,3-trimethyl-2-oxoindol-5-yl)butanamide is sourced from PubChem (CID 98033831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).