N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]pentanamide

C17H24N2O — CID 113086286

IUPACN-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]pentanamide
SMILESCCCCC(=O)NC(C)(C)Cc1c[nH]c2ccccc12
InChIInChI=1S/C17H24N2O/c1-4-5-10-16(20)19-17(2,3)11-13-12-18-15-9-7-6-8-14(13)15/h6-9,12,18H,4-5,10-11H2,1-3H3,(H,19,20)
InChIKeyKGMHYSUECXPWNQ-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.80
Rot. Bonds6

About N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]pentanamide

N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]pentanamide (PubChem CID 113086286) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]pentanamide.

Molecular Properties

Compound NameN-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]pentanamide
PubChem CID113086286
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]pentanamide
SMILESCCCCC(=O)NC(C)(C)Cc1c[nH]c2ccccc12
InChIInChI=1S/C17H24N2O/c1-4-5-10-16(20)19-17(2,3)11-13-12-18-15-9-7-6-8-14(13)15/h6-9,12,18H,4-5,10-11H2,1-3H3,(H,19,20)
InChIKeyKGMHYSUECXPWNQ-UHFFFAOYSA-N
XLogP3.80
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]acetamide
CID 113086281
3-[3-(1H-indol-3-yl)propanoylamino]-3-methylbutanoic acid
CID 64673297
3-(2,2-dimethylhexyl)-1H-indole
CID 70819800
N-[4-[2-(1H-indol-3-yl)ethylamino]phenyl]pentanamide
CID 112984004
N-(1-amino-2-methylpropan-2-yl)-2-(1H-indol-3-yl)acetamide
CID 55163528
N-[2-(tert-butylamino)-2-oxoethyl]-4-(1H-indol-3-yl)butanamide
CID 51222112
N'-pentanoyl-1H-indole-3-carbohydrazide
CID 134008164
N-(3-hydroxy-2-methylbutan-2-yl)-3-(1H-indol-3-yl)propanamide
CID 115884530
2-amino-2-(1H-indol-3-ylmethyl)octanoic acid;dihydrochloride
CID 174428555
(2S)-2-(hexadecanoylamino)-3-(1H-indol-3-yl)propanoic acid
CID 10321153
N-[(2S)-1-(1H-indol-3-yl)-3-oxobutan-2-yl]hexanamide
CID 135165358
(2S)-2-(docosanoylamino)-3-(1H-indol-3-yl)propanoic acid
CID 171117069

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]pentanamide?
The IUPAC name of N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]pentanamide (CID 113086286) is N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]pentanamide.
What is the SMILES notation for N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]pentanamide?
The canonical SMILES for N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]pentanamide is CCCCC(=O)NC(C)(C)Cc1c[nH]c2ccccc12.
What is the InChIKey of N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]pentanamide?
The InChIKey is KGMHYSUECXPWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-4-5-10-16(20)19-17(2,3)11-13-12-18-15-9-7-6-8-14(13)15/h6-9,12,18H,4-5,10-11H2,1-3H3,(H,19,20).
What are the key properties of N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]pentanamide?
N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]pentanamide has a molecular weight of 272.39 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]pentanamide is sourced from PubChem (CID 113086286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).