N-methyl-N-(4-methylpentan-2-yl)-1H-indole-5-carboxamide

C16H22N2O — CID 63716577

IUPACN-methyl-N-(4-methylpentan-2-yl)-1H-indole-5-carboxamide
SMILESCC(C)CC(C)N(C)C(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C16H22N2O/c1-11(2)9-12(3)18(4)16(19)14-5-6-15-13(10-14)7-8-17-15/h5-8,10-12,17H,9H2,1-4H3
InChIKeyHDYQGIZPAWSDOW-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.67
Rot. Bonds4

About N-methyl-N-(4-methylpentan-2-yl)-1H-indole-5-carboxamide

N-methyl-N-(4-methylpentan-2-yl)-1H-indole-5-carboxamide (PubChem CID 63716577) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-methyl-N-(4-methylpentan-2-yl)-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylpentan-2-yl)-1H-indole-5-carboxamide
PubChem CID63716577
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-methyl-N-(4-methylpentan-2-yl)-1H-indole-5-carboxamide
SMILESCC(C)CC(C)N(C)C(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C16H22N2O/c1-11(2)9-12(3)18(4)16(19)14-5-6-15-13(10-14)7-8-17-15/h5-8,10-12,17H,9H2,1-4H3
InChIKeyHDYQGIZPAWSDOW-UHFFFAOYSA-N
XLogP3.67
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1H-indole-5-carbonyl(methyl)amino]butanoic acid
CID 63748775
N-butyl-N-methyl-1H-indole-5-carboxamide
CID 63717689
1-(1H-indol-5-yl)-4-methylpentan-1-one
CID 10976846
N-butan-2-yl-N-(2-methoxyethyl)-1H-indole-5-carboxamide
CID 63770200
2-cyclopentyloxy-N-(1H-indol-5-yl)-N-(4-methylpentan-2-yl)acetamide
CID 51132357
(2S)-2-(1H-indole-5-carbonylamino)-4-methylpentanoate
CID 7095205
N-ethyl-N-(3-hydroxypropyl)-1H-indole-5-carboxamide
CID 115771732
N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-1H-indole-5-carboxamide
CID 59878895
4-hydrazinyl-N,3-dimethyl-N-(4-methylpentan-2-yl)benzamide
CID 63211529
N-(2,2-difluoroethyl)-N-methyl-1H-indole-6-carboxamide
CID 113231691
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1H-indole-6-carboxamide
CID 103190473
3-fluoro-N-methyl-N-(4-methylpentan-2-yl)-4-nitrobenzamide
CID 62681818

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylpentan-2-yl)-1H-indole-5-carboxamide?
The IUPAC name of N-methyl-N-(4-methylpentan-2-yl)-1H-indole-5-carboxamide (CID 63716577) is N-methyl-N-(4-methylpentan-2-yl)-1H-indole-5-carboxamide.
What is the SMILES notation for N-methyl-N-(4-methylpentan-2-yl)-1H-indole-5-carboxamide?
The canonical SMILES for N-methyl-N-(4-methylpentan-2-yl)-1H-indole-5-carboxamide is CC(C)CC(C)N(C)C(=O)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-methyl-N-(4-methylpentan-2-yl)-1H-indole-5-carboxamide?
The InChIKey is HDYQGIZPAWSDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11(2)9-12(3)18(4)16(19)14-5-6-15-13(10-14)7-8-17-15/h5-8,10-12,17H,9H2,1-4H3.
What are the key properties of N-methyl-N-(4-methylpentan-2-yl)-1H-indole-5-carboxamide?
N-methyl-N-(4-methylpentan-2-yl)-1H-indole-5-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylpentan-2-yl)-1H-indole-5-carboxamide is sourced from PubChem (CID 63716577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).