4-amino-N-methyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide

C14H19N3O2 — CID 115155349

IUPAC4-amino-N-methyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide
SMILESCN(Cc1ccc2c(c1)CC(=O)N2)C(=O)CCCN
InChIInChI=1S/C14H19N3O2/c1-17(14(19)3-2-6-15)9-10-4-5-12-11(7-10)8-13(18)16-12/h4-5,7H,2-3,6,8-9,15H2,1H3,(H,16,18)
InChIKeyQEDHFCDJEBKNOQ-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.88
Rot. Bonds5

About 4-amino-N-methyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide

4-amino-N-methyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide (PubChem CID 115155349) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide
PubChem CID115155349
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-amino-N-methyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide
SMILESCN(Cc1ccc2c(c1)CC(=O)N2)C(=O)CCCN
InChIInChI=1S/C14H19N3O2/c1-17(14(19)3-2-6-15)9-10-4-5-12-11(7-10)8-13(18)16-12/h4-5,7H,2-3,6,8-9,15H2,1H3,(H,16,18)
InChIKeyQEDHFCDJEBKNOQ-UHFFFAOYSA-N
XLogP0.88
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]-3-sulfanylpropanamide
CID 115167940
N-methyl-3-(methylamino)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]propanamide
CID 115153275
methyl 2-[methyl-[(2-oxo-1,3-dihydroindol-5-yl)methyl]amino]-2-oxoacetate
CID 115142468
2-hydroxy-N-methyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]acetamide
CID 115139941
N-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)acetohydrazide
CID 116844796
2-hydroxy-N-methyl-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide
CID 115140167
5-(4-aminobutyl)-1,3-dihydroindol-2-one
CID 82190436
5-[[(3-amino-2-hydroxypropyl)-methylamino]methyl]-1,3-dihydroindol-2-one
CID 115121496
N-(1-aminopropan-2-yl)-N-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
CID 119583698
5-[[bromomethyl(methyl)amino]methyl]-1,3-dihydroindol-2-one
CID 115262041
2-amino-3-[methyl-[(2-oxo-1,3-dihydroindol-5-yl)methyl]amino]propanoic acid
CID 115240765
5-[3-aminopropyl(methyl)amino]-1,3-dihydroindol-2-one
CID 82493886

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide?
The IUPAC name of 4-amino-N-methyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide (CID 115155349) is 4-amino-N-methyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide.
What is the SMILES notation for 4-amino-N-methyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide?
The canonical SMILES for 4-amino-N-methyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide is CN(Cc1ccc2c(c1)CC(=O)N2)C(=O)CCCN.
What is the InChIKey of 4-amino-N-methyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide?
The InChIKey is QEDHFCDJEBKNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-17(14(19)3-2-6-15)9-10-4-5-12-11(7-10)8-13(18)16-12/h4-5,7H,2-3,6,8-9,15H2,1H3,(H,16,18).
What are the key properties of 4-amino-N-methyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide?
4-amino-N-methyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide has a molecular weight of 261.32 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide is sourced from PubChem (CID 115155349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).