N-[(2R)-butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide

C14H16N2O2 — CID 7117283

IUPACN-[(2R)-butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESCC[C@@H](C)NC(=O)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C14H16N2O2/c1-3-9(2)16-14(18)13(17)11-8-15-12-7-5-4-6-10(11)12/h4-9,15H,3H2,1-2H3,(H,16,18)/t9-/m1/s1
InChIKeyOGSJDLMQXSIQKS-SECBINFHSA-N
MW244.29 g/mol
LogP2.27
Rot. Bonds4

About N-[(2R)-butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide

N-[(2R)-butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide (PubChem CID 7117283) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
PubChem CID7117283
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-[(2R)-butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESCC[C@@H](C)NC(=O)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C14H16N2O2/c1-3-9(2)16-14(18)13(17)11-8-15-12-7-5-4-6-10(11)12/h4-9,15H,3H2,1-2H3,(H,16,18)/t9-/m1/s1
InChIKeyOGSJDLMQXSIQKS-SECBINFHSA-N
XLogP2.27
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-1H-indole-3-carboxamide
CID 43399203
N-[(2S)-4-(dimethylamino)butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 66664820
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
1-[(2R)-butan-2-yl]-3-(1H-indol-3-yl)urea
CID 7615931
(2S)-2-(1H-indole-3-carbonylamino)-3-methylpentanoic acid
CID 61174653
N-(4-methylpentan-2-yl)-1H-indole-3-carboxamide
CID 43582090
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-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 101138067
N-(2-methylbutyl)-1H-indole-3-carboxamide
CID 62694409
1-(1H-indol-3-yl)-2-(methylamino)butan-1-one
CID 82284949

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide (CID 7117283) is N-[(2R)-butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide is CC[C@@H](C)NC(=O)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is OGSJDLMQXSIQKS-SECBINFHSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-3-9(2)16-14(18)13(17)11-8-15-12-7-5-4-6-10(11)12/h4-9,15H,3H2,1-2H3,(H,16,18)/t9-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide?
N-[(2R)-butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 244.29 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 7117283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).