N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride

C18H28ClN3O2 — CID 119607628

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)CCCc1ccc2c(c1)CC(=O)N2.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-12(2)18(3,11-19)21-16(22)6-4-5-13-7-8-15-14(9-13)10-17(23)20-15;/h7-9,12H,4-6,10-11,19H2,1-3H3,(H,20,23)(H,21,22);1H
InChIKeyBMUYQOGPUZMOBT-UHFFFAOYSA-N
MW353.89 g/mol
LogP2.42
Rot. Bonds7

About N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride (PubChem CID 119607628) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
PubChem CID119607628
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)CCCc1ccc2c(c1)CC(=O)N2.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-12(2)18(3,11-19)21-16(22)6-4-5-13-7-8-15-14(9-13)10-17(23)20-15;/h7-9,12H,4-6,10-11,19H2,1-3H3,(H,20,23)(H,21,22);1H
InChIKeyBMUYQOGPUZMOBT-UHFFFAOYSA-N
XLogP2.42
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride with MolForge

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Related Compounds

N-[2-(methylamino)ethyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
CID 119502632
N-[1-(aminomethyl)cyclopentyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
CID 119567049
N-(1-aminopropan-2-yl)-N-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
CID 119583698
5-(4-oxopentyl)-1,3-dihydroindol-2-one
CID 116927752
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(4-methoxyphenyl)butanamide;hydrochloride
CID 119605619
N-(4-aminocyclohexyl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
CID 119477259
5-(4-aminobutyl)-1,3-dihydroindol-2-one
CID 82190436
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 119457848
5-butyl-1,3-dihydroindol-2-one
CID 10219749
5-(4-amino-3-methylbutyl)-1,3-dihydroindol-2-one
CID 116924938
5-(2-hydroxyethyl)-1,3-dihydroindol-2-one
CID 22131131
2-amino-3-hydroxy-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide
CID 115180068

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride (CID 119607628) is N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride is CC(C)C(C)(CN)NC(=O)CCCc1ccc2c(c1)CC(=O)N2.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride?
The InChIKey is BMUYQOGPUZMOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.ClH/c1-12(2)18(3,11-19)21-16(22)6-4-5-13-7-8-15-14(9-13)10-17(23)20-15;/h7-9,12H,4-6,10-11,19H2,1-3H3,(H,20,23)(H,21,22);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 2.42, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride is sourced from PubChem (CID 119607628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).