N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-4-carboxamide

C17H24N2O — CID 102907617

IUPACN-(3-methyl-2-propan-2-ylbutyl)-1H-indole-4-carboxamide
SMILESCC(C)C(CNC(=O)c1cccc2[nH]ccc12)C(C)C
InChIInChI=1S/C17H24N2O/c1-11(2)15(12(3)4)10-19-17(20)14-6-5-7-16-13(14)8-9-18-16/h5-9,11-12,15,18H,10H2,1-4H3,(H,19,20)
InChIKeyRUCVFOKVDYGFPA-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.83
Rot. Bonds5

About N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-4-carboxamide

N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-4-carboxamide (PubChem CID 102907617) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-propan-2-ylbutyl)-1H-indole-4-carboxamide
PubChem CID102907617
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-(3-methyl-2-propan-2-ylbutyl)-1H-indole-4-carboxamide
SMILESCC(C)C(CNC(=O)c1cccc2[nH]ccc12)C(C)C
InChIInChI=1S/C17H24N2O/c1-11(2)15(12(3)4)10-19-17(20)14-6-5-7-16-13(14)8-9-18-16/h5-9,11-12,15,18H,10H2,1-4H3,(H,19,20)
InChIKeyRUCVFOKVDYGFPA-UHFFFAOYSA-N
XLogP3.83
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-hydroxypropyl)-1H-indole-4-carboxamide
CID 43501200
N-(2-methyl-3-methylsulfanylpropyl)-1H-indole-4-carboxamide
CID 63960321
N-(2-aminobutyl)-1H-indole-4-carboxamide
CID 63733452
N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-indole-4-carboxamide
CID 115672235
methyl 2-hydroxy-3-(1H-indole-4-carbonylamino)propanoate
CID 103957814
N-(2,2-diethoxyethyl)-1H-indole-4-carboxamide
CID 79548414
N-(3-ethyl-2-hydroxypentyl)-1H-indole-4-carboxamide
CID 103723441
N-(4-hydroxybutan-2-yl)-1H-indole-4-carboxamide
CID 81043314
1H-indole-4-carbohydrazide
CID 43316644
N-(3-propan-2-yloxypropyl)-1H-indole-4-carboxamide
CID 60865335
N-[3-[methyl(propan-2-yl)amino]propyl]-1H-indole-4-carboxamide
CID 103721268
N-(2-hydroxy-2,3-dimethylpentyl)-1H-indole-4-carboxamide
CID 111595853

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-4-carboxamide?
The IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-4-carboxamide (CID 102907617) is N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-4-carboxamide.
What is the SMILES notation for N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-4-carboxamide?
The canonical SMILES for N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-4-carboxamide is CC(C)C(CNC(=O)c1cccc2[nH]ccc12)C(C)C.
What is the InChIKey of N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-4-carboxamide?
The InChIKey is RUCVFOKVDYGFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-11(2)15(12(3)4)10-19-17(20)14-6-5-7-16-13(14)8-9-18-16/h5-9,11-12,15,18H,10H2,1-4H3,(H,19,20).
What are the key properties of N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-4-carboxamide?
N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-4-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-4-carboxamide is sourced from PubChem (CID 102907617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).