(2S)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-phenylpropanamide

C20H21N3O2 — CID 94102423

IUPAC(2S)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-phenylpropanamide
SMILESCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)c1ccccc1
InChIInChI=1S/C20H21N3O2/c1-14(24)22-19(20(25)23(2)16-8-4-3-5-9-16)12-15-13-21-18-11-7-6-10-17(15)18/h3-11,13,19,21H,12H2,1-2H3,(H,22,24)/t19-/m0/s1
InChIKeyOTQDLGSTEDUCMC-IBGZPJMESA-N
MW335.41 g/mol
LogP2.88
Rot. Bonds5

About (2S)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-phenylpropanamide

(2S)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-phenylpropanamide (PubChem CID 94102423) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is (2S)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-phenylpropanamide
PubChem CID94102423
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name(2S)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-phenylpropanamide
SMILESCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)c1ccccc1
InChIInChI=1S/C20H21N3O2/c1-14(24)22-19(20(25)23(2)16-8-4-3-5-9-16)12-15-13-21-18-11-7-6-10-17(15)18/h3-11,13,19,21H,12H2,1-2H3,(H,22,24)/t19-/m0/s1
InChIKeyOTQDLGSTEDUCMC-IBGZPJMESA-N
XLogP2.88
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-acetamido-N-benzyl-3-(1H-indol-3-yl)-N-methylpropanamide
CID 10736544
2-acetamido-N-(2-hydroxy-2-methylpropyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 111543245
(2R)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-(2-methyl-3-oxobutan-2-yl)propanamide
CID 164972019
2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
CID 46449928
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-(1-phenylethyl)propanamide
CID 4224605
(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoic acid
CID 71396240
(2S)-2-acetamido-N-[[4-(difluoromethoxy)phenyl]methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 31239015
(3R)-3-acetamido-4-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 170278600

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-phenylpropanamide?
The IUPAC name of (2S)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-phenylpropanamide (CID 94102423) is (2S)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-phenylpropanamide.
What is the SMILES notation for (2S)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-phenylpropanamide?
The canonical SMILES for (2S)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-phenylpropanamide is CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)c1ccccc1.
What is the InChIKey of (2S)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-phenylpropanamide?
The InChIKey is OTQDLGSTEDUCMC-IBGZPJMESA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14(24)22-19(20(25)23(2)16-8-4-3-5-9-16)12-15-13-21-18-11-7-6-10-17(15)18/h3-11,13,19,21H,12H2,1-2H3,(H,22,24)/t19-/m0/s1.
What are the key properties of (2S)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-phenylpropanamide?
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-phenylpropanamide has a molecular weight of 335.41 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-phenylpropanamide is sourced from PubChem (CID 94102423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).