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

C22H26N2O2 — CID 110406291

IUPACN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-2-(4-methylphenyl)butanamide
SMILESCc1ccc(C(C(=O)NCC(=O)N2CCc3ccccc32)C(C)C)cc1
InChIInChI=1S/C22H26N2O2/c1-15(2)21(18-10-8-16(3)9-11-18)22(26)23-14-20(25)24-13-12-17-6-4-5-7-19(17)24/h4-11,15,21H,12-14H2,1-3H3,(H,23,26)
InChIKeyFOBXDCMWRBYHRJ-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.44
Rot. Bonds5

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

N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-2-(4-methylphenyl)butanamide (PubChem CID 110406291) 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]-3-methyl-2-(4-methylphenyl)butanamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-2-(4-methylphenyl)butanamide
PubChem CID110406291
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-2-(4-methylphenyl)butanamide
SMILESCc1ccc(C(C(=O)NCC(=O)N2CCc3ccccc32)C(C)C)cc1
InChIInChI=1S/C22H26N2O2/c1-15(2)21(18-10-8-16(3)9-11-18)22(26)23-14-20(25)24-13-12-17-6-4-5-7-19(17)24/h4-11,15,21H,12-14H2,1-3H3,(H,23,26)
InChIKeyFOBXDCMWRBYHRJ-UHFFFAOYSA-N
XLogP3.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methyl-3-phenylpentanamide
CID 110619444
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide
CID 47413298
1-(2,3-dihydroindol-1-yl)-2-[[(1R)-1-(4-propan-2-ylphenyl)ethyl]amino]ethanone
CID 9439923
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(4-fluorophenyl)butanamide
CID 110619443
2-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]propanamide;hydrochloride
CID 119302463
(2R)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]propanoic acid
CID 83194966
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111002184
4-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]pentanamide;hydrochloride
CID 120562063
1-(2,3-dihydroindol-1-yl)-2-[[2-(dimethylamino)-2-phenylethyl]amino]ethanone
CID 5041685
(2R)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-propan-2-ylsulfonylpropanamide
CID 94670013
1-tert-butyl-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]urea
CID 46383527
3-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide
CID 108953092

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-2-(4-methylphenyl)butanamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-2-(4-methylphenyl)butanamide (CID 110406291) is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-2-(4-methylphenyl)butanamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-2-(4-methylphenyl)butanamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-2-(4-methylphenyl)butanamide is Cc1ccc(C(C(=O)NCC(=O)N2CCc3ccccc32)C(C)C)cc1.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-2-(4-methylphenyl)butanamide?
The InChIKey is FOBXDCMWRBYHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-15(2)21(18-10-8-16(3)9-11-18)22(26)23-14-20(25)24-13-12-17-6-4-5-7-19(17)24/h4-11,15,21H,12-14H2,1-3H3,(H,23,26).
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-2-(4-methylphenyl)butanamide?
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-2-(4-methylphenyl)butanamide has a molecular weight of 350.46 g/mol, XLogP of 3.44, 5 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]-3-methyl-2-(4-methylphenyl)butanamide is sourced from PubChem (CID 110406291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).