(2R)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-(2-methyl-3-oxobutan-2-yl)propanamide

C19H25N3O3 — CID 164972019

IUPAC(2R)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-(2-methyl-3-oxobutan-2-yl)propanamide
SMILESCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N(C)C(C)(C)C(C)=O
InChIInChI=1S/C19H25N3O3/c1-12(23)19(3,4)22(5)18(25)17(21-13(2)24)10-14-11-20-16-9-7-6-8-15(14)16/h6-9,11,17,20H,10H2,1-5H3,(H,21,24)/t17-/m1/s1
InChIKeyGVCLMZQGXJYQEG-QGZVFWFLSA-N
MW343.43 g/mol
LogP2.04
Rot. Bonds6

About (2R)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-(2-methyl-3-oxobutan-2-yl)propanamide

(2R)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-(2-methyl-3-oxobutan-2-yl)propanamide (PubChem CID 164972019) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (2R)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-(2-methyl-3-oxobutan-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-(2-methyl-3-oxobutan-2-yl)propanamide
PubChem CID164972019
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(2R)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-(2-methyl-3-oxobutan-2-yl)propanamide
SMILESCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N(C)C(C)(C)C(C)=O
InChIInChI=1S/C19H25N3O3/c1-12(23)19(3,4)22(5)18(25)17(21-13(2)24)10-14-11-20-16-9-7-6-8-15(14)16/h6-9,11,17,20H,10H2,1-5H3,(H,21,24)/t17-/m1/s1
InChIKeyGVCLMZQGXJYQEG-QGZVFWFLSA-N
XLogP2.04
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.04
H-Bond Donors ≤ 52
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;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-(2-hydroxy-2-methylpropyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 111543245
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-phenylpropanamide
CID 94102423
2-acetamido-N-benzyl-3-(1H-indol-3-yl)-N-methylpropanamide
CID 10736544
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-3-(1H-indol-3-yl)propanoyl isocyanide
CID 101405165
4-[[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]-methylamino]methyl]-N-methylbenzamide
CID 8965686
2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
CID 46449928
(2S)-2-acetamido-N-[[4-(difluoromethoxy)phenyl]methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 31239015
2-acetamido-N-(3-imidazol-1-ylpropyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 71847306
methyl 2-[[2-(dimethylamino)-2-methylpropanoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 21027337

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-(2-methyl-3-oxobutan-2-yl)propanamide?
The IUPAC name of (2R)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-(2-methyl-3-oxobutan-2-yl)propanamide (CID 164972019) is (2R)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-(2-methyl-3-oxobutan-2-yl)propanamide.
What is the SMILES notation for (2R)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-(2-methyl-3-oxobutan-2-yl)propanamide?
The canonical SMILES for (2R)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-(2-methyl-3-oxobutan-2-yl)propanamide is CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N(C)C(C)(C)C(C)=O.
What is the InChIKey of (2R)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-(2-methyl-3-oxobutan-2-yl)propanamide?
The InChIKey is GVCLMZQGXJYQEG-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-12(23)19(3,4)22(5)18(25)17(21-13(2)24)10-14-11-20-16-9-7-6-8-15(14)16/h6-9,11,17,20H,10H2,1-5H3,(H,21,24)/t17-/m1/s1.
What are the key properties of (2R)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-(2-methyl-3-oxobutan-2-yl)propanamide?
(2R)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-(2-methyl-3-oxobutan-2-yl)propanamide has a molecular weight of 343.43 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-(2-methyl-3-oxobutan-2-yl)propanamide is sourced from PubChem (CID 164972019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).