N-(4-acetylphenyl)-3-[2,3-dihydro-1H-inden-1-yl(prop-2-ynyl)amino]propanamide

C23H24N2O2 — CID 56524925

IUPACN-(4-acetylphenyl)-3-[2,3-dihydro-1H-inden-1-yl(prop-2-ynyl)amino]propanamide
SMILESC#CCN(CCC(=O)Nc1ccc(C(C)=O)cc1)C1CCc2ccccc21
InChIInChI=1S/C23H24N2O2/c1-3-15-25(22-13-10-19-6-4-5-7-21(19)22)16-14-23(27)24-20-11-8-18(9-12-20)17(2)26/h1,4-9,11-12,22H,10,13-16H2,2H3,(H,24,27)
InChIKeyWAVVZOLFQFYBEI-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.84
Rot. Bonds7

About N-(4-acetylphenyl)-3-[2,3-dihydro-1H-inden-1-yl(prop-2-ynyl)amino]propanamide

N-(4-acetylphenyl)-3-[2,3-dihydro-1H-inden-1-yl(prop-2-ynyl)amino]propanamide (PubChem CID 56524925) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-[2,3-dihydro-1H-inden-1-yl(prop-2-ynyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-[2,3-dihydro-1H-inden-1-yl(prop-2-ynyl)amino]propanamide
PubChem CID56524925
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC NameN-(4-acetylphenyl)-3-[2,3-dihydro-1H-inden-1-yl(prop-2-ynyl)amino]propanamide
SMILESC#CCN(CCC(=O)Nc1ccc(C(C)=O)cc1)C1CCc2ccccc21
InChIInChI=1S/C23H24N2O2/c1-3-15-25(22-13-10-19-6-4-5-7-21(19)22)16-14-23(27)24-20-11-8-18(9-12-20)17(2)26/h1,4-9,11-12,22H,10,13-16H2,2H3,(H,24,27)
InChIKeyWAVVZOLFQFYBEI-UHFFFAOYSA-N
XLogP3.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-cyanophenyl)-3-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]propanamide
CID 111332264
N,N-bis(prop-2-ynyl)-2,3-dihydro-1H-inden-1-amine;methanesulfonate
CID 175678918
4-[[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetyl]amino]-N,N-dimethylbenzamide
CID 36677187
N-(cyclohexylmethyl)-2-[2,3-dihydro-1H-inden-1-yl(prop-2-ynyl)amino]acetamide
CID 55841446
3-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-phenylpropanamide
CID 46683151
N-(2-(18F)fluoroethyl)-N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 53472295
N-(2-fluoroethyl)-N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 53472248
N-(2-cyanoethyl)-2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-prop-2-ynylamino]-N-methylacetamide
CID 94588890
2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(4-methylphenyl)acetamide
CID 36674283
propan-2-yl N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-prop-2-ynylcarbamate
CID 46189995
N-(4-acetylphenyl)-3-cyclopentylpropanamide
CID 835633
N-(4-acetamidophenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9261093

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-[2,3-dihydro-1H-inden-1-yl(prop-2-ynyl)amino]propanamide?
The IUPAC name of N-(4-acetylphenyl)-3-[2,3-dihydro-1H-inden-1-yl(prop-2-ynyl)amino]propanamide (CID 56524925) is N-(4-acetylphenyl)-3-[2,3-dihydro-1H-inden-1-yl(prop-2-ynyl)amino]propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-[2,3-dihydro-1H-inden-1-yl(prop-2-ynyl)amino]propanamide?
The canonical SMILES for N-(4-acetylphenyl)-3-[2,3-dihydro-1H-inden-1-yl(prop-2-ynyl)amino]propanamide is C#CCN(CCC(=O)Nc1ccc(C(C)=O)cc1)C1CCc2ccccc21.
What is the InChIKey of N-(4-acetylphenyl)-3-[2,3-dihydro-1H-inden-1-yl(prop-2-ynyl)amino]propanamide?
The InChIKey is WAVVZOLFQFYBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-3-15-25(22-13-10-19-6-4-5-7-21(19)22)16-14-23(27)24-20-11-8-18(9-12-20)17(2)26/h1,4-9,11-12,22H,10,13-16H2,2H3,(H,24,27).
What are the key properties of N-(4-acetylphenyl)-3-[2,3-dihydro-1H-inden-1-yl(prop-2-ynyl)amino]propanamide?
N-(4-acetylphenyl)-3-[2,3-dihydro-1H-inden-1-yl(prop-2-ynyl)amino]propanamide has a molecular weight of 360.46 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-[2,3-dihydro-1H-inden-1-yl(prop-2-ynyl)amino]propanamide is sourced from PubChem (CID 56524925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).