N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methyl-3-phenylpentanamide

C22H26N2O2 — CID 110619444

IUPACN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methyl-3-phenylpentanamide
SMILESCC(C)C(CC(=O)NCC(=O)N1CCc2ccccc21)c1ccccc1
InChIInChI=1S/C22H26N2O2/c1-16(2)19(17-8-4-3-5-9-17)14-21(25)23-15-22(26)24-13-12-18-10-6-7-11-20(18)24/h3-11,16,19H,12-15H2,1-2H3,(H,23,25)
InChIKeyALHPZNPRULYHIL-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.52
Rot. Bonds6

About N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methyl-3-phenylpentanamide

N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methyl-3-phenylpentanamide (PubChem CID 110619444) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methyl-3-phenylpentanamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methyl-3-phenylpentanamide
PubChem CID110619444
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methyl-3-phenylpentanamide
SMILESCC(C)C(CC(=O)NCC(=O)N1CCc2ccccc21)c1ccccc1
InChIInChI=1S/C22H26N2O2/c1-16(2)19(17-8-4-3-5-9-17)14-21(25)23-15-22(26)24-13-12-18-10-6-7-11-20(18)24/h3-11,16,19H,12-15H2,1-2H3,(H,23,25)
InChIKeyALHPZNPRULYHIL-UHFFFAOYSA-N
XLogP3.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,3-diphenylpropanamide
CID 99217097
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(4-fluorophenyl)butanamide
CID 110619443
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide
CID 47413298
N-[2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 110673378
3-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-phenylpropanamide
CID 119950519
4-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]pentanamide;hydrochloride
CID 120562063
(2R)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]propanoic acid
CID 83194966
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-2-(4-methylphenyl)butanamide
CID 110406291
4-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]butanamide;hydrochloride
CID 119315166
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methylsulfonylpropanamide
CID 110606116
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111002184
1-(2,3-dihydroindol-1-yl)-2-[[2-(dimethylamino)-2-phenylethyl]amino]ethanone
CID 5041685

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methyl-3-phenylpentanamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methyl-3-phenylpentanamide (CID 110619444) is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methyl-3-phenylpentanamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methyl-3-phenylpentanamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methyl-3-phenylpentanamide is CC(C)C(CC(=O)NCC(=O)N1CCc2ccccc21)c1ccccc1.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methyl-3-phenylpentanamide?
The InChIKey is ALHPZNPRULYHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-16(2)19(17-8-4-3-5-9-17)14-21(25)23-15-22(26)24-13-12-18-10-6-7-11-20(18)24/h3-11,16,19H,12-15H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methyl-3-phenylpentanamide?
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methyl-3-phenylpentanamide has a molecular weight of 350.46 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methyl-3-phenylpentanamide is sourced from PubChem (CID 110619444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).