N-[(2S)-1-amino-3-methylbutan-2-yl]-N,1-dimethylindole-3-carboxamide

C16H23N3O — CID 118928461

IUPACN-[(2S)-1-amino-3-methylbutan-2-yl]-N,1-dimethylindole-3-carboxamide
SMILESCC(C)[C@@H](CN)N(C)C(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C16H23N3O/c1-11(2)15(9-17)19(4)16(20)13-10-18(3)14-8-6-5-7-12(13)14/h5-8,10-11,15H,9,17H2,1-4H3/t15-/m1/s1
InChIKeyPAAIOOFWHOVDGU-OAHLLOKOSA-N
MW273.38 g/mol
LogP2.23
Rot. Bonds4

About N-[(2S)-1-amino-3-methylbutan-2-yl]-N,1-dimethylindole-3-carboxamide

N-[(2S)-1-amino-3-methylbutan-2-yl]-N,1-dimethylindole-3-carboxamide (PubChem CID 118928461) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(2S)-1-amino-3-methylbutan-2-yl]-N,1-dimethylindole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-3-methylbutan-2-yl]-N,1-dimethylindole-3-carboxamide
PubChem CID118928461
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[(2S)-1-amino-3-methylbutan-2-yl]-N,1-dimethylindole-3-carboxamide
SMILESCC(C)[C@@H](CN)N(C)C(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C16H23N3O/c1-11(2)15(9-17)19(4)16(20)13-10-18(3)14-8-6-5-7-12(13)14/h5-8,10-11,15H,9,17H2,1-4H3/t15-/m1/s1
InChIKeyPAAIOOFWHOVDGU-OAHLLOKOSA-N
XLogP2.23
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-amino-3-methylbutan-2-yl]-2-methoxy-N-methylbenzamide
CID 131998525
N-(3-amino-2-methylpropyl)-1-methylindole-3-carboxamide
CID 115271613
N-benzyl-1-methyl-N-propan-2-ylindole-3-carboxamide
CID 113205582
2-[carboxymethyl-(1-methylindole-3-carbonyl)amino]acetic acid
CID 63650839
1-methyl-N,N-dipropylindole-3-carboxamide
CID 110762474
[(2S)-1-amino-1-oxopropan-2-yl] 1-methylindole-3-carboxylate
CID 40518343
methyl (2S)-3-methyl-2-[(1-methylindole-3-carbonyl)amino]butanoate
CID 51681664
4-[methyl-(1-methylindole-3-carbonyl)amino]butanoic acid
CID 43360106
methyl (2S)-2-[(1-methylindole-3-carbonyl)amino]propanoate
CID 47337364
2-(1-methylindol-3-yl)-2-oxoacetamide
CID 594179
N-ethyl-1-methylindole-3-carboxamide
CID 25348690
1-methylindole-3-carbothioic S-acid
CID 116918837

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-3-methylbutan-2-yl]-N,1-dimethylindole-3-carboxamide?
The IUPAC name of N-[(2S)-1-amino-3-methylbutan-2-yl]-N,1-dimethylindole-3-carboxamide (CID 118928461) is N-[(2S)-1-amino-3-methylbutan-2-yl]-N,1-dimethylindole-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-3-methylbutan-2-yl]-N,1-dimethylindole-3-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-3-methylbutan-2-yl]-N,1-dimethylindole-3-carboxamide is CC(C)[C@@H](CN)N(C)C(=O)c1cn(C)c2ccccc12.
What is the InChIKey of N-[(2S)-1-amino-3-methylbutan-2-yl]-N,1-dimethylindole-3-carboxamide?
The InChIKey is PAAIOOFWHOVDGU-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11(2)15(9-17)19(4)16(20)13-10-18(3)14-8-6-5-7-12(13)14/h5-8,10-11,15H,9,17H2,1-4H3/t15-/m1/s1.
What are the key properties of N-[(2S)-1-amino-3-methylbutan-2-yl]-N,1-dimethylindole-3-carboxamide?
N-[(2S)-1-amino-3-methylbutan-2-yl]-N,1-dimethylindole-3-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-3-methylbutan-2-yl]-N,1-dimethylindole-3-carboxamide is sourced from PubChem (CID 118928461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).