N-butan-2-yl-1H-indole-3-carboxamide

C13H16N2O — CID 43399203

IUPACN-butan-2-yl-1H-indole-3-carboxamide
SMILESCCC(C)NC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C13H16N2O/c1-3-9(2)15-13(16)11-8-14-12-7-5-4-6-10(11)12/h4-9,14H,3H2,1-2H3,(H,15,16)
InChIKeyGEGGBAQSLSDKKL-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.70
Rot. Bonds3

About N-butan-2-yl-1H-indole-3-carboxamide

N-butan-2-yl-1H-indole-3-carboxamide (PubChem CID 43399203) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-butan-2-yl-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1H-indole-3-carboxamide
PubChem CID43399203
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-butan-2-yl-1H-indole-3-carboxamide
SMILESCCC(C)NC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C13H16N2O/c1-3-9(2)15-13(16)11-8-14-12-7-5-4-6-10(11)12/h4-9,14H,3H2,1-2H3,(H,15,16)
InChIKeyGEGGBAQSLSDKKL-UHFFFAOYSA-N
XLogP2.70
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-methylpentan-2-yl)-1H-indole-3-carboxamide
CID 43582090
N-[(2R)-butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 7117283
N-(1-methoxypropan-2-yl)-1H-indole-3-carboxamide
CID 18712226
(2S)-2-(1H-indole-3-carbonylamino)-3-methylpentanoic acid
CID 61174653
N-butan-2-yl-6-chloro-1H-indole-3-carboxamide
CID 113206344
N-(2-methylbutyl)-1H-indole-3-carboxamide
CID 62694409
N-[1-(furan-2-yl)propan-2-yl]-1H-indole-3-carboxamide
CID 61043525
N-[(2S)-butan-2-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 94065123
1-[(2R)-butan-2-yl]-3-(1H-indol-3-yl)urea
CID 7615931
N-[1-(2-methylphenyl)ethyl]-1H-indole-3-carboxamide
CID 60659511
N-(3-methyl-2-oxobutyl)-1H-indole-3-carboxamide
CID 59531603
N-[1-(4-aminophenyl)ethyl]-1H-indole-3-carboxamide
CID 116650078

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1H-indole-3-carboxamide?
The IUPAC name of N-butan-2-yl-1H-indole-3-carboxamide (CID 43399203) is N-butan-2-yl-1H-indole-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-1H-indole-3-carboxamide?
The canonical SMILES for N-butan-2-yl-1H-indole-3-carboxamide is CCC(C)NC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-butan-2-yl-1H-indole-3-carboxamide?
The InChIKey is GEGGBAQSLSDKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-3-9(2)15-13(16)11-8-14-12-7-5-4-6-10(11)12/h4-9,14H,3H2,1-2H3,(H,15,16).
What are the key properties of N-butan-2-yl-1H-indole-3-carboxamide?
N-butan-2-yl-1H-indole-3-carboxamide has a molecular weight of 216.28 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1H-indole-3-carboxamide is sourced from PubChem (CID 43399203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).