N-(1-acetyl-2,3-dihydroindol-5-yl)-3-phenylpropanamide

C19H20N2O2 — CID 42424044

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-3-phenylpropanamide
SMILESCC(=O)N1CCc2cc(NC(=O)CCc3ccccc3)ccc21
InChIInChI=1S/C19H20N2O2/c1-14(22)21-12-11-16-13-17(8-9-18(16)21)20-19(23)10-7-15-5-3-2-4-6-15/h2-6,8-9,13H,7,10-12H2,1H3,(H,20,23)
InChIKeyWCFOFCRXTOXLIA-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.17
Rot. Bonds4

About N-(1-acetyl-2,3-dihydroindol-5-yl)-3-phenylpropanamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-3-phenylpropanamide (PubChem CID 42424044) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-3-phenylpropanamide
PubChem CID42424044
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-3-phenylpropanamide
SMILESCC(=O)N1CCc2cc(NC(=O)CCc3ccccc3)ccc21
InChIInChI=1S/C19H20N2O2/c1-14(22)21-12-11-16-13-17(8-9-18(16)21)20-19(23)10-7-15-5-3-2-4-6-15/h2-6,8-9,13H,7,10-12H2,1H3,(H,20,23)
InChIKeyWCFOFCRXTOXLIA-UHFFFAOYSA-N
XLogP3.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-5-yl)pentanamide
CID 39952141
N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-3-phenylpropanamide
CID 110639899
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 39966336
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-aminobutanamide;hydrochloride
CID 119271758
N-[3-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-3-oxopropyl]furan-2-carboxamide
CID 78800817
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,3-benzothiazol-2-yl)propanamide
CID 30494500
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 34184494
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-phenylpropanamide
CID 20933537
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2,5-dimethoxyphenyl)propanamide
CID 38073244
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-tert-butylsulfanylacetamide
CID 29288915
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,3-benzothiazol-2-yl)butanamide
CID 32645878

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-3-phenylpropanamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-3-phenylpropanamide (CID 42424044) is N-(1-acetyl-2,3-dihydroindol-5-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-3-phenylpropanamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-3-phenylpropanamide is CC(=O)N1CCc2cc(NC(=O)CCc3ccccc3)ccc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-3-phenylpropanamide?
The InChIKey is WCFOFCRXTOXLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-14(22)21-12-11-16-13-17(8-9-18(16)21)20-19(23)10-7-15-5-3-2-4-6-15/h2-6,8-9,13H,7,10-12H2,1H3,(H,20,23).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-3-phenylpropanamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-phenylpropanamide has a molecular weight of 308.38 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-3-phenylpropanamide is sourced from PubChem (CID 42424044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).