N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,3-dihydro-1H-indole-3-carboxamide

C16H25N3O — CID 80566385

IUPACN-[1-(dimethylamino)-3-methylbutan-2-yl]-2,3-dihydro-1H-indole-3-carboxamide
SMILESCC(C)C(CN(C)C)NC(=O)C1CNc2ccccc21
InChIInChI=1S/C16H25N3O/c1-11(2)15(10-19(3)4)18-16(20)13-9-17-14-8-6-5-7-12(13)14/h5-8,11,13,15,17H,9-10H2,1-4H3,(H,18,20)
InChIKeyWTZKXYPHUNABRI-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.90
Rot. Bonds5

About N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,3-dihydro-1H-indole-3-carboxamide

N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,3-dihydro-1H-indole-3-carboxamide (PubChem CID 80566385) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,3-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-3-methylbutan-2-yl]-2,3-dihydro-1H-indole-3-carboxamide
PubChem CID80566385
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[1-(dimethylamino)-3-methylbutan-2-yl]-2,3-dihydro-1H-indole-3-carboxamide
SMILESCC(C)C(CN(C)C)NC(=O)C1CNc2ccccc21
InChIInChI=1S/C16H25N3O/c1-11(2)15(10-19(3)4)18-16(20)13-9-17-14-8-6-5-7-12(13)14/h5-8,11,13,15,17H,9-10H2,1-4H3,(H,18,20)
InChIKeyWTZKXYPHUNABRI-UHFFFAOYSA-N
XLogP1.90
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxypentan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 113376258
N-but-3-yn-2-yl-2,3-dihydro-1H-indole-3-carboxamide
CID 114417212
N-(1-phenylethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566091
N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80567229
methyl (2S)-2-(2,3-dihydro-1H-indole-3-carbonylamino)propanoate
CID 80565260
N-(1-cyanopropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566463
N-[(1R)-2-hydroxy-1-phenylethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 107863327
N-[1-(2-bromophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80564594
N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80563608
N-[1-(4-bromophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80563668
N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 81355683
4-(2,3-dihydro-1H-indole-3-carbonylamino)-3-methylbutanoic acid
CID 81072234

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,3-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,3-dihydro-1H-indole-3-carboxamide (CID 80566385) is N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,3-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,3-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,3-dihydro-1H-indole-3-carboxamide is CC(C)C(CN(C)C)NC(=O)C1CNc2ccccc21.
What is the InChIKey of N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,3-dihydro-1H-indole-3-carboxamide?
The InChIKey is WTZKXYPHUNABRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11(2)15(10-19(3)4)18-16(20)13-9-17-14-8-6-5-7-12(13)14/h5-8,11,13,15,17H,9-10H2,1-4H3,(H,18,20).
What are the key properties of N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,3-dihydro-1H-indole-3-carboxamide?
N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,3-dihydro-1H-indole-3-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,3-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 80566385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).