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

C21H23N3O2 — CID 10736544

IUPAC2-acetamido-N-benzyl-3-(1H-indol-3-yl)-N-methylpropanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C21H23N3O2/c1-15(25)23-20(12-17-13-22-19-11-7-6-10-18(17)19)21(26)24(2)14-16-8-4-3-5-9-16/h3-11,13,20,22H,12,14H2,1-2H3,(H,23,25)
InChIKeyBVFQAQPYYOPYCQ-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.87
Rot. Bonds6

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

2-acetamido-N-benzyl-3-(1H-indol-3-yl)-N-methylpropanamide (PubChem CID 10736544) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-acetamido-N-benzyl-3-(1H-indol-3-yl)-N-methylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-benzyl-3-(1H-indol-3-yl)-N-methylpropanamide
PubChem CID10736544
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-acetamido-N-benzyl-3-(1H-indol-3-yl)-N-methylpropanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C21H23N3O2/c1-15(25)23-20(12-17-13-22-19-11-7-6-10-18(17)19)21(26)24(2)14-16-8-4-3-5-9-16/h3-11,13,20,22H,12,14H2,1-2H3,(H,23,25)
InChIKeyBVFQAQPYYOPYCQ-UHFFFAOYSA-N
XLogP2.87
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]-methylamino]methyl]-N-methylbenzamide
CID 8965686
(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)-N-methyl-N-phenylpropanamide
CID 94102423
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
benzyl N-[(2S)-3-(1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl-methylamino]-1-oxopropan-2-yl]carbamate
CID 24547191
N-[(2R)-1-[benzyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]quinoline-3-carboxamide
CID 15104627
benzyl N-[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 24546888
(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanamide
CID 15923665
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

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-benzyl-3-(1H-indol-3-yl)-N-methylpropanamide?
The IUPAC name of 2-acetamido-N-benzyl-3-(1H-indol-3-yl)-N-methylpropanamide (CID 10736544) is 2-acetamido-N-benzyl-3-(1H-indol-3-yl)-N-methylpropanamide.
What is the SMILES notation for 2-acetamido-N-benzyl-3-(1H-indol-3-yl)-N-methylpropanamide?
The canonical SMILES for 2-acetamido-N-benzyl-3-(1H-indol-3-yl)-N-methylpropanamide is CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1ccccc1.
What is the InChIKey of 2-acetamido-N-benzyl-3-(1H-indol-3-yl)-N-methylpropanamide?
The InChIKey is BVFQAQPYYOPYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15(25)23-20(12-17-13-22-19-11-7-6-10-18(17)19)21(26)24(2)14-16-8-4-3-5-9-16/h3-11,13,20,22H,12,14H2,1-2H3,(H,23,25).
What are the key properties of 2-acetamido-N-benzyl-3-(1H-indol-3-yl)-N-methylpropanamide?
2-acetamido-N-benzyl-3-(1H-indol-3-yl)-N-methylpropanamide has a molecular weight of 349.43 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-benzyl-3-(1H-indol-3-yl)-N-methylpropanamide is sourced from PubChem (CID 10736544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).