N-(3,5-dimethylphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide

C20H20N2O3 — CID 110344873

IUPACN-(3,5-dimethylphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
SMILESCc1cc(C)cc(NC(=O)CCC(=O)c2ccc3c(c2)CC(=O)N3)c1
InChIInChI=1S/C20H20N2O3/c1-12-7-13(2)9-16(8-12)21-19(24)6-5-18(23)14-3-4-17-15(10-14)11-20(25)22-17/h3-4,7-10H,5-6,11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyMJVMDWAOMXJUJJ-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.40
Rot. Bonds5

About N-(3,5-dimethylphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide

N-(3,5-dimethylphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide (PubChem CID 110344873) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
PubChem CID110344873
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-(3,5-dimethylphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
SMILESCc1cc(C)cc(NC(=O)CCC(=O)c2ccc3c(c2)CC(=O)N3)c1
InChIInChI=1S/C20H20N2O3/c1-12-7-13(2)9-16(8-12)21-19(24)6-5-18(23)14-3-4-17-15(10-14)11-20(25)22-17/h3-4,7-10H,5-6,11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyMJVMDWAOMXJUJJ-UHFFFAOYSA-N
XLogP3.40
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethylphenyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 110700387
N-(2-methylphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 110344864
N-(4-ethoxyphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 110344890
4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)-N-[3-(trifluoromethyl)phenyl]butanamide
CID 110344893
N-cyclopentyl-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 110344793
5-[2-(methylamino)acetyl]-1,3-dihydroindol-2-one
CID 82112676
N-[(4-chlorophenyl)methyl]-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 110344819
1-(4-methylpiperazin-1-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butane-1,4-dione
CID 110344805
5-[2-(4-methylphenyl)sulfanylacetyl]-1,3-dihydroindol-2-one
CID 137349604
N-(4-methylphenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 110344982
N-[(2-methoxyphenyl)methyl]-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 110344820
5-(3-bromo-5-methylbenzoyl)-1,3-dihydroindol-2-one
CID 104850942

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide (CID 110344873) is N-(3,5-dimethylphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide is Cc1cc(C)cc(NC(=O)CCC(=O)c2ccc3c(c2)CC(=O)N3)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide?
The InChIKey is MJVMDWAOMXJUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-12-7-13(2)9-16(8-12)21-19(24)6-5-18(23)14-3-4-17-15(10-14)11-20(25)22-17/h3-4,7-10H,5-6,11H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-(3,5-dimethylphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide?
N-(3,5-dimethylphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide has a molecular weight of 336.39 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide is sourced from PubChem (CID 110344873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).