N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]-2-methylpropanamide

C20H23N3O2 — CID 54810898

IUPACN-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)CN2CCc3ccccc32)c1
InChIInChI=1S/C20H23N3O2/c1-14(2)20(25)22-17-8-5-7-16(12-17)21-19(24)13-23-11-10-15-6-3-4-9-18(15)23/h3-9,12,14H,10-11,13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyVQJGKYNDQKOTGY-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.28
Rot. Bonds5

About N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]-2-methylpropanamide

N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]-2-methylpropanamide (PubChem CID 54810898) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
PubChem CID54810898
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)CN2CCc3ccccc32)c1
InChIInChI=1S/C20H23N3O2/c1-14(2)20(25)22-17-8-5-7-16(12-17)21-19(24)13-23-11-10-15-6-3-4-9-18(15)23/h3-9,12,14H,10-11,13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyVQJGKYNDQKOTGY-UHFFFAOYSA-N
XLogP3.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 54817030
N-[4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 54817003
2-(2,3-dihydroindol-1-yl)-N-phenylacetamide
CID 22199878
N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54810873
2-(2,3-dihydroindol-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 22199883
2-(2,3-dihydroindol-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 54810775
2-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)acetamide
CID 2402749
2-(2,3-dihydroindol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4783327
3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 54810846
2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]propanoic acid
CID 82041853
N-benzyl-3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]benzamide
CID 54810849
N-(4-chloro-2-methylphenyl)-2-(2,3-dihydroindol-1-yl)acetamide
CID 109007270

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]-2-methylpropanamide (CID 54810898) is N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1cccc(NC(=O)CN2CCc3ccccc32)c1.
What is the InChIKey of N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]-2-methylpropanamide?
The InChIKey is VQJGKYNDQKOTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14(2)20(25)22-17-8-5-7-16(12-17)21-19(24)13-23-11-10-15-6-3-4-9-18(15)23/h3-9,12,14H,10-11,13H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]-2-methylpropanamide?
N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]-2-methylpropanamide has a molecular weight of 337.42 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 54810898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).