2-acetamido-N-(2-hydroxy-2-methylpropyl)-3-(1H-indol-3-yl)-N-methylpropanamide

C18H25N3O3 — CID 111543245

IUPAC2-acetamido-N-(2-hydroxy-2-methylpropyl)-3-(1H-indol-3-yl)-N-methylpropanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N(C)CC(C)(C)O
InChIInChI=1S/C18H25N3O3/c1-12(22)20-16(17(23)21(4)11-18(2,3)24)9-13-10-19-15-8-6-5-7-14(13)15/h5-8,10,16,19,24H,9,11H2,1-4H3,(H,20,22)
InChIKeyLLAMBCXLSLFBRK-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.44
Rot. Bonds6

About 2-acetamido-N-(2-hydroxy-2-methylpropyl)-3-(1H-indol-3-yl)-N-methylpropanamide

2-acetamido-N-(2-hydroxy-2-methylpropyl)-3-(1H-indol-3-yl)-N-methylpropanamide (PubChem CID 111543245) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-acetamido-N-(2-hydroxy-2-methylpropyl)-3-(1H-indol-3-yl)-N-methylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-(2-hydroxy-2-methylpropyl)-3-(1H-indol-3-yl)-N-methylpropanamide
PubChem CID111543245
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name2-acetamido-N-(2-hydroxy-2-methylpropyl)-3-(1H-indol-3-yl)-N-methylpropanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N(C)CC(C)(C)O
InChIInChI=1S/C18H25N3O3/c1-12(22)20-16(17(23)21(4)11-18(2,3)24)9-13-10-19-15-8-6-5-7-14(13)15/h5-8,10,16,19,24H,9,11H2,1-4H3,(H,20,22)
InChIKeyLLAMBCXLSLFBRK-UHFFFAOYSA-N
XLogP1.44
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-(2-methyl-3-oxobutan-2-yl)propanamide
CID 164972019
2-acetamido-N-benzyl-3-(1H-indol-3-yl)-N-methylpropanamide
CID 10736544
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-phenylpropanamide
CID 94102423
4-[[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]-methylamino]methyl]-N-methylbenzamide
CID 8965686
sodium;2-acetamido-3-(1H-indol-3-yl)propanoate;tetrahydrate
CID 172794214
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 40720853
(2S)-2-acetamido-N-[[4-(difluoromethoxy)phenyl]methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 31239015
(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl isocyanide
CID 101405165
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate
CID 7573513
2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
CID 46449928
(2R)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-(2-methyl-3-oxobutan-2-yl)propanamide;2-[[(2R)-2-acetamido-3-(1H-indol-3-yl)propanoyl]-methylamino]-N,2-dimethylpropanamide;tert-butyl N-[(2R)-3-(1H-indol-3-yl)-1-[methyl-(2-methyl-3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]carbamate
CID 164972018
2-acetamido-N-(3-imidazol-1-ylpropyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 71847306

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(2-hydroxy-2-methylpropyl)-3-(1H-indol-3-yl)-N-methylpropanamide?
The IUPAC name of 2-acetamido-N-(2-hydroxy-2-methylpropyl)-3-(1H-indol-3-yl)-N-methylpropanamide (CID 111543245) is 2-acetamido-N-(2-hydroxy-2-methylpropyl)-3-(1H-indol-3-yl)-N-methylpropanamide.
What is the SMILES notation for 2-acetamido-N-(2-hydroxy-2-methylpropyl)-3-(1H-indol-3-yl)-N-methylpropanamide?
The canonical SMILES for 2-acetamido-N-(2-hydroxy-2-methylpropyl)-3-(1H-indol-3-yl)-N-methylpropanamide is CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N(C)CC(C)(C)O.
What is the InChIKey of 2-acetamido-N-(2-hydroxy-2-methylpropyl)-3-(1H-indol-3-yl)-N-methylpropanamide?
The InChIKey is LLAMBCXLSLFBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-12(22)20-16(17(23)21(4)11-18(2,3)24)9-13-10-19-15-8-6-5-7-14(13)15/h5-8,10,16,19,24H,9,11H2,1-4H3,(H,20,22).
What are the key properties of 2-acetamido-N-(2-hydroxy-2-methylpropyl)-3-(1H-indol-3-yl)-N-methylpropanamide?
2-acetamido-N-(2-hydroxy-2-methylpropyl)-3-(1H-indol-3-yl)-N-methylpropanamide has a molecular weight of 331.42 g/mol, XLogP of 1.44, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(2-hydroxy-2-methylpropyl)-3-(1H-indol-3-yl)-N-methylpropanamide is sourced from PubChem (CID 111543245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).