N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-2-methylphenyl]propanamide

C20H23N3O2 — CID 54810602

IUPACN-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CN2CCc3ccccc32)c1C
InChIInChI=1S/C20H23N3O2/c1-3-19(24)21-16-8-6-9-17(14(16)2)22-20(25)13-23-12-11-15-7-4-5-10-18(15)23/h4-10H,3,11-13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyQXVIHGWJIKYWAE-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.34
Rot. Bonds5

About N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-2-methylphenyl]propanamide

N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-2-methylphenyl]propanamide (PubChem CID 54810602) 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]-2-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-2-methylphenyl]propanamide
PubChem CID54810602
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CN2CCc3ccccc32)c1C
InChIInChI=1S/C20H23N3O2/c1-3-19(24)21-16-8-6-9-17(14(16)2)22-20(25)13-23-12-11-15-7-4-5-10-18(15)23/h4-10H,3,11-13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyQXVIHGWJIKYWAE-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydroindol-1-yl)-N-(2-methylphenyl)acetamide
CID 22199881
2-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)acetamide
CID 2402749
N-(4-chloro-2-methylphenyl)-2-(2,3-dihydroindol-1-yl)acetamide
CID 109007270
2-(2,3-dihydroindol-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 18084883
2-(2,3-dihydroindol-1-yl)-N-phenylacetamide
CID 22199878
2-(2,3-dihydroindol-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 22199883
2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]propanoic acid
CID 82041853
2-(2,3-dihydroindol-1-yl)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54810870
N-(3-chloro-2-methylphenyl)-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide
CID 119921091
ethyl 2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 2654361
N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 54810898
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2,3-dihydroindol-1-yl)acetamide
CID 22199888

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-2-methylphenyl]propanamide?
The IUPAC name of N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-2-methylphenyl]propanamide (CID 54810602) is N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-2-methylphenyl]propanamide.
What is the SMILES notation for N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-2-methylphenyl]propanamide?
The canonical SMILES for N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-2-methylphenyl]propanamide is CCC(=O)Nc1cccc(NC(=O)CN2CCc3ccccc32)c1C.
What is the InChIKey of N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-2-methylphenyl]propanamide?
The InChIKey is QXVIHGWJIKYWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-3-19(24)21-16-8-6-9-17(14(16)2)22-20(25)13-23-12-11-15-7-4-5-10-18(15)23/h4-10H,3,11-13H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-2-methylphenyl]propanamide?
N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-2-methylphenyl]propanamide has a molecular weight of 337.42 g/mol, XLogP of 3.34, 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]-2-methylphenyl]propanamide is sourced from PubChem (CID 54810602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).