N-[(2R)-1-amino-1-oxobutan-2-yl]-N,1,3,7-tetramethylindole-2-carboxamide

C17H23N3O2 — CID 126426807

IUPACN-[(2R)-1-amino-1-oxobutan-2-yl]-N,1,3,7-tetramethylindole-2-carboxamide
SMILESCC[C@H](C(N)=O)N(C)C(=O)c1c(C)c2cccc(C)c2n1C
InChIInChI=1S/C17H23N3O2/c1-6-13(16(18)21)19(4)17(22)15-11(3)12-9-7-8-10(2)14(12)20(15)5/h7-9,13H,6H2,1-5H3,(H2,18,21)/t13-/m1/s1
InChIKeyLBYSHLPYKPTIKD-CYBMUJFWSA-N
MW301.39 g/mol
LogP2.13
Rot. Bonds4

About N-[(2R)-1-amino-1-oxobutan-2-yl]-N,1,3,7-tetramethylindole-2-carboxamide

N-[(2R)-1-amino-1-oxobutan-2-yl]-N,1,3,7-tetramethylindole-2-carboxamide (PubChem CID 126426807) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[(2R)-1-amino-1-oxobutan-2-yl]-N,1,3,7-tetramethylindole-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-amino-1-oxobutan-2-yl]-N,1,3,7-tetramethylindole-2-carboxamide
PubChem CID126426807
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[(2R)-1-amino-1-oxobutan-2-yl]-N,1,3,7-tetramethylindole-2-carboxamide
SMILESCC[C@H](C(N)=O)N(C)C(=O)c1c(C)c2cccc(C)c2n1C
InChIInChI=1S/C17H23N3O2/c1-6-13(16(18)21)19(4)17(22)15-11(3)12-9-7-8-10(2)14(12)20(15)5/h7-9,13H,6H2,1-5H3,(H2,18,21)/t13-/m1/s1
InChIKeyLBYSHLPYKPTIKD-CYBMUJFWSA-N
XLogP2.13
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze N-[(2R)-1-amino-1-oxobutan-2-yl]-N,1,3,7-tetramethylindole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(R)-cyclopropyl(pyridin-2-yl)methyl]-N,1,3,7-tetramethylindole-2-carboxamide
CID 99927995
3,7-dimethyl-1-propylindole-2-carboxylic acid
CID 83969429
N,1,3,7-tetramethyl-N-[[(3R)-oxolan-3-yl]methyl]indole-2-carboxamide
CID 126424749
2-[methyl-[(2-methylphenyl)methyl]amino]butanamide
CID 55211748
2-amino-2-(1,3,7-trimethylindol-2-yl)ethanol
CID 83859878
1,3,7-trimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]indole-2-carboxamide
CID 119060428
1-[(1-amino-1-oxobutan-2-yl)-sulfinoamino]-5-(dimethylamino)naphthalene
CID 57120430
2-chloro-1,3,7-trimethylindole
CID 117127854
1,3,7-trimethyl-N-[2-(4-methylmorpholin-2-yl)ethyl]indole-2-carboxamide
CID 56717402
(2S,4R)-4-amino-N-methyl-1-(1,3,7-trimethylindole-2-carbonyl)pyrrolidine-2-carboxamide
CID 56718530
2-(2,3,7-trimethylindol-1-yl)ethanamine
CID 82491683
7-fluoro-1,3-dimethylindole-2-carboxylic acid
CID 82492326

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-amino-1-oxobutan-2-yl]-N,1,3,7-tetramethylindole-2-carboxamide?
The IUPAC name of N-[(2R)-1-amino-1-oxobutan-2-yl]-N,1,3,7-tetramethylindole-2-carboxamide (CID 126426807) is N-[(2R)-1-amino-1-oxobutan-2-yl]-N,1,3,7-tetramethylindole-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-amino-1-oxobutan-2-yl]-N,1,3,7-tetramethylindole-2-carboxamide?
The canonical SMILES for N-[(2R)-1-amino-1-oxobutan-2-yl]-N,1,3,7-tetramethylindole-2-carboxamide is CC[C@H](C(N)=O)N(C)C(=O)c1c(C)c2cccc(C)c2n1C.
What is the InChIKey of N-[(2R)-1-amino-1-oxobutan-2-yl]-N,1,3,7-tetramethylindole-2-carboxamide?
The InChIKey is LBYSHLPYKPTIKD-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-6-13(16(18)21)19(4)17(22)15-11(3)12-9-7-8-10(2)14(12)20(15)5/h7-9,13H,6H2,1-5H3,(H2,18,21)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-amino-1-oxobutan-2-yl]-N,1,3,7-tetramethylindole-2-carboxamide?
N-[(2R)-1-amino-1-oxobutan-2-yl]-N,1,3,7-tetramethylindole-2-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-amino-1-oxobutan-2-yl]-N,1,3,7-tetramethylindole-2-carboxamide is sourced from PubChem (CID 126426807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).