N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-indole-4-carboxamide

C15H19N3O2 — CID 115672235

IUPACN-[2-(2-methylpropylamino)-2-oxoethyl]-1H-indole-4-carboxamide
SMILESCC(C)CNC(=O)CNC(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C15H19N3O2/c1-10(2)8-17-14(19)9-18-15(20)12-4-3-5-13-11(12)6-7-16-13/h3-7,10,16H,8-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyAUGVBFJMCOERFS-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.67
Rot. Bonds5

About N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-indole-4-carboxamide

N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-indole-4-carboxamide (PubChem CID 115672235) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylpropylamino)-2-oxoethyl]-1H-indole-4-carboxamide
PubChem CID115672235
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[2-(2-methylpropylamino)-2-oxoethyl]-1H-indole-4-carboxamide
SMILESCC(C)CNC(=O)CNC(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C15H19N3O2/c1-10(2)8-17-14(19)9-18-15(20)12-4-3-5-13-11(12)6-7-16-13/h3-7,10,16H,8-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyAUGVBFJMCOERFS-UHFFFAOYSA-N
XLogP1.67
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxypropyl)-1H-indole-4-carboxamide
CID 43501200
N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-4-carboxamide
CID 102907617
N-(2-methyl-3-methylsulfanylpropyl)-1H-indole-4-carboxamide
CID 63960321
N-(2-aminobutyl)-1H-indole-4-carboxamide
CID 63733452
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-(2-hydroxy-2,3-dimethylpentyl)-1H-indole-4-carboxamide
CID 111595853
N-(4-hydroxybutan-2-yl)-1H-indole-4-carboxamide
CID 81043314
N-(4-amino-4-oxobutan-2-yl)-1H-indole-4-carboxamide
CID 115674677
1H-indole-4-carbohydrazide
CID 43316644
2-fluoro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 40623473

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-indole-4-carboxamide?
The IUPAC name of N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-indole-4-carboxamide (CID 115672235) is N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-indole-4-carboxamide.
What is the SMILES notation for N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-indole-4-carboxamide?
The canonical SMILES for N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-indole-4-carboxamide is CC(C)CNC(=O)CNC(=O)c1cccc2[nH]ccc12.
What is the InChIKey of N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-indole-4-carboxamide?
The InChIKey is AUGVBFJMCOERFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10(2)8-17-14(19)9-18-15(20)12-4-3-5-13-11(12)6-7-16-13/h3-7,10,16H,8-9H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-indole-4-carboxamide?
N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-indole-4-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-indole-4-carboxamide is sourced from PubChem (CID 115672235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).