N-(2-amino-3-methylbutyl)-2-oxo-1,3-dihydroindole-5-carboxamide

C14H19N3O2 — CID 102711566

IUPACN-(2-amino-3-methylbutyl)-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESCC(C)C(N)CNC(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C14H19N3O2/c1-8(2)11(15)7-16-14(19)9-3-4-12-10(5-9)6-13(18)17-12/h3-5,8,11H,6-7,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyKMGWCNQIGLOQSM-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.89
Rot. Bonds4

About N-(2-amino-3-methylbutyl)-2-oxo-1,3-dihydroindole-5-carboxamide

N-(2-amino-3-methylbutyl)-2-oxo-1,3-dihydroindole-5-carboxamide (PubChem CID 102711566) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(2-amino-3-methylbutyl)-2-oxo-1,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-3-methylbutyl)-2-oxo-1,3-dihydroindole-5-carboxamide
PubChem CID102711566
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-(2-amino-3-methylbutyl)-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESCC(C)C(N)CNC(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C14H19N3O2/c1-8(2)11(15)7-16-14(19)9-3-4-12-10(5-9)6-13(18)17-12/h3-5,8,11H,6-7,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyKMGWCNQIGLOQSM-UHFFFAOYSA-N
XLogP0.89
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784707
N-(3-aminobutyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102711492
2-oxo-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3-dihydroindole-5-carboxamide
CID 103742618
N-(3-amino-4-methylpentyl)-N-methyl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102711691
N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 18765684
methyl 2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]acetate
CID 83724913
2-hydroxy-2-methyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 102710774
N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 69247393
N-(3-amino-2-methylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 115271606
N-hexyl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784631
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 115271278
N-(2-ethyl-2-hydroxybutyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103711840

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-methylbutyl)-2-oxo-1,3-dihydroindole-5-carboxamide?
The IUPAC name of N-(2-amino-3-methylbutyl)-2-oxo-1,3-dihydroindole-5-carboxamide (CID 102711566) is N-(2-amino-3-methylbutyl)-2-oxo-1,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-(2-amino-3-methylbutyl)-2-oxo-1,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-(2-amino-3-methylbutyl)-2-oxo-1,3-dihydroindole-5-carboxamide is CC(C)C(N)CNC(=O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of N-(2-amino-3-methylbutyl)-2-oxo-1,3-dihydroindole-5-carboxamide?
The InChIKey is KMGWCNQIGLOQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-8(2)11(15)7-16-14(19)9-3-4-12-10(5-9)6-13(18)17-12/h3-5,8,11H,6-7,15H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-(2-amino-3-methylbutyl)-2-oxo-1,3-dihydroindole-5-carboxamide?
N-(2-amino-3-methylbutyl)-2-oxo-1,3-dihydroindole-5-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-methylbutyl)-2-oxo-1,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 102711566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).