N-[(2S)-4-(dimethylamino)butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide

C16H21N3O2 — CID 66664820

IUPACN-[(2S)-4-(dimethylamino)butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESC[C@@H](CCN(C)C)NC(=O)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C16H21N3O2/c1-11(8-9-19(2)3)18-16(21)15(20)13-10-17-14-7-5-4-6-12(13)14/h4-7,10-11,17H,8-9H2,1-3H3,(H,18,21)/t11-/m0/s1
InChIKeyXZZNECFSSUMFSP-NSHDSACASA-N
MW287.36 g/mol
LogP1.81
Rot. Bonds6

About N-[(2S)-4-(dimethylamino)butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide

N-[(2S)-4-(dimethylamino)butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide (PubChem CID 66664820) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(2S)-4-(dimethylamino)butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[(2S)-4-(dimethylamino)butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
PubChem CID66664820
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[(2S)-4-(dimethylamino)butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESC[C@@H](CCN(C)C)NC(=O)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C16H21N3O2/c1-11(8-9-19(2)3)18-16(21)15(20)13-10-17-14-7-5-4-6-12(13)14/h4-7,10-11,17H,8-9H2,1-3H3,(H,18,21)/t11-/m0/s1
InChIKeyXZZNECFSSUMFSP-NSHDSACASA-N
XLogP1.81
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 7117283
N-[(2R)-5-(diethylamino)pentan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 7117299
N-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 38112263
N-(4-methylpentan-2-yl)-1H-indole-3-carboxamide
CID 43582090
N-butan-2-yl-1H-indole-3-carboxamide
CID 43399203
N-(2-hydroxy-1-phenylethyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 11109608
N-[(1R)-1-cyclohexylethyl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 11044731
N-(1-methoxypropan-2-yl)-1H-indole-3-carboxamide
CID 18712226
3-[1H-indole-3-carbonyl(propan-2-yl)amino]propanoic acid
CID 60830552
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 101138067
(2S)-2-(1H-indole-3-carbonylamino)-3-methylpentanoic acid
CID 61174653
ethane;1-(1H-indol-3-yl)propane-1,2-dione
CID 90885148

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-(dimethylamino)butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-[(2S)-4-(dimethylamino)butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide (CID 66664820) is N-[(2S)-4-(dimethylamino)butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-[(2S)-4-(dimethylamino)butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-[(2S)-4-(dimethylamino)butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide is C[C@@H](CCN(C)C)NC(=O)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-[(2S)-4-(dimethylamino)butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is XZZNECFSSUMFSP-NSHDSACASA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11(8-9-19(2)3)18-16(21)15(20)13-10-17-14-7-5-4-6-12(13)14/h4-7,10-11,17H,8-9H2,1-3H3,(H,18,21)/t11-/m0/s1.
What are the key properties of N-[(2S)-4-(dimethylamino)butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide?
N-[(2S)-4-(dimethylamino)butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 287.36 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-(dimethylamino)butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 66664820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).