2-[(3R)-3-acetamido-2-oxo-1-propan-2-ylindol-3-yl]-N-(4-methoxyphenyl)acetamide

C22H25N3O4 — CID 40961307

IUPAC2-[(3R)-3-acetamido-2-oxo-1-propan-2-ylindol-3-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)C[C@]2(NC(C)=O)C(=O)N(C(C)C)c3ccccc32)cc1
InChIInChI=1S/C22H25N3O4/c1-14(2)25-19-8-6-5-7-18(19)22(21(25)28,24-15(3)26)13-20(27)23-16-9-11-17(29-4)12-10-16/h5-12,14H,13H2,1-4H3,(H,23,27)(H,24,26)/t22-/m1/s1
InChIKeyPGHJYRBJSAUOOD-JOCHJYFZSA-N
MW395.46 g/mol
LogP2.81
Rot. Bonds6

About 2-[(3R)-3-acetamido-2-oxo-1-propan-2-ylindol-3-yl]-N-(4-methoxyphenyl)acetamide

2-[(3R)-3-acetamido-2-oxo-1-propan-2-ylindol-3-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 40961307) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-[(3R)-3-acetamido-2-oxo-1-propan-2-ylindol-3-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-3-acetamido-2-oxo-1-propan-2-ylindol-3-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID40961307
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name2-[(3R)-3-acetamido-2-oxo-1-propan-2-ylindol-3-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)C[C@]2(NC(C)=O)C(=O)N(C(C)C)c3ccccc32)cc1
InChIInChI=1S/C22H25N3O4/c1-14(2)25-19-8-6-5-7-18(19)22(21(25)28,24-15(3)26)13-20(27)23-16-9-11-17(29-4)12-10-16/h5-12,14H,13H2,1-4H3,(H,23,27)(H,24,26)/t22-/m1/s1
InChIKeyPGHJYRBJSAUOOD-JOCHJYFZSA-N
XLogP2.81
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-3-acetamido-1-methyl-2-oxoindol-3-yl]-N-phenylacetamide
CID 40946799
2-[1-(2,2-diethoxyethyl)-3-[(4-methoxyphenyl)carbamoylamino]-2-oxoindol-3-yl]-N-(4-methylphenyl)acetamide
CID 23293136
2-[(3R)-3-acetamido-1-methyl-2-oxoindol-3-yl]-N-(2,6-dichlorophenyl)acetamide
CID 41008155
2-[(3S)-1-[2,2-di(propan-2-yloxy)ethyl]-3-[(4-methylphenyl)carbamoylamino]-2-oxoindol-3-yl]-N-(4-methylphenyl)acetamide
CID 10210130
2-(3-hydroxy-2-oxo-3-phenylindol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 53144266
2-[(3S)-1-[2-(dimethylamino)ethyl]-3-[(3-methoxyphenyl)carbamoylamino]-2-oxoindol-3-yl]-N-(4-methylphenyl)acetamide
CID 70146603
N-(4-methylphenyl)-2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-1-(2-oxoethyl)indol-3-yl]acetamide
CID 18373415
4-(4,4-dimethyl-2-oxo-3H-quinolin-1-yl)-N-(4-methoxyphenyl)butanamide
CID 91938677
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 7746783
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
2-[3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 53144104
1-benzyl-3-(4-methoxyanilino)-3-(2-methylprop-2-enyl)indol-2-one
CID 46845600

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-acetamido-2-oxo-1-propan-2-ylindol-3-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[(3R)-3-acetamido-2-oxo-1-propan-2-ylindol-3-yl]-N-(4-methoxyphenyl)acetamide (CID 40961307) is 2-[(3R)-3-acetamido-2-oxo-1-propan-2-ylindol-3-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(3R)-3-acetamido-2-oxo-1-propan-2-ylindol-3-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(3R)-3-acetamido-2-oxo-1-propan-2-ylindol-3-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)C[C@]2(NC(C)=O)C(=O)N(C(C)C)c3ccccc32)cc1.
What is the InChIKey of 2-[(3R)-3-acetamido-2-oxo-1-propan-2-ylindol-3-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is PGHJYRBJSAUOOD-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-14(2)25-19-8-6-5-7-18(19)22(21(25)28,24-15(3)26)13-20(27)23-16-9-11-17(29-4)12-10-16/h5-12,14H,13H2,1-4H3,(H,23,27)(H,24,26)/t22-/m1/s1.
What are the key properties of 2-[(3R)-3-acetamido-2-oxo-1-propan-2-ylindol-3-yl]-N-(4-methoxyphenyl)acetamide?
2-[(3R)-3-acetamido-2-oxo-1-propan-2-ylindol-3-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 395.46 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-acetamido-2-oxo-1-propan-2-ylindol-3-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 40961307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).