N-(1H-indol-3-yl)-4-(4-methoxy-3-methylphenyl)-4-oxobutanamide

C20H20N2O3 — CID 46963319

IUPACN-(1H-indol-3-yl)-4-(4-methoxy-3-methylphenyl)-4-oxobutanamide
SMILESCOc1ccc(C(=O)CCC(=O)Nc2c[nH]c3ccccc23)cc1C
InChIInChI=1S/C20H20N2O3/c1-13-11-14(7-9-19(13)25-2)18(23)8-10-20(24)22-17-12-21-16-6-4-3-5-15(16)17/h3-7,9,11-12,21H,8,10H2,1-2H3,(H,22,24)
InChIKeyNMLMLCSHKSDRKN-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.09
Rot. Bonds6

About N-(1H-indol-3-yl)-4-(4-methoxy-3-methylphenyl)-4-oxobutanamide

N-(1H-indol-3-yl)-4-(4-methoxy-3-methylphenyl)-4-oxobutanamide (PubChem CID 46963319) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(1H-indol-3-yl)-4-(4-methoxy-3-methylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(1H-indol-3-yl)-4-(4-methoxy-3-methylphenyl)-4-oxobutanamide
PubChem CID46963319
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-(1H-indol-3-yl)-4-(4-methoxy-3-methylphenyl)-4-oxobutanamide
SMILESCOc1ccc(C(=O)CCC(=O)Nc2c[nH]c3ccccc23)cc1C
InChIInChI=1S/C20H20N2O3/c1-13-11-14(7-9-19(13)25-2)18(23)8-10-20(24)22-17-12-21-16-6-4-3-5-15(16)17/h3-7,9,11-12,21H,8,10H2,1-2H3,(H,22,24)
InChIKeyNMLMLCSHKSDRKN-UHFFFAOYSA-N
XLogP4.09
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxy-3-methylphenyl)-N-methyl-4-oxobutanamide
CID 94262532
N-(1H-indol-3-yl)butanamide;dihydrochloride
CID 142898662
N-ethyl-4-(4-methoxy-3-methylphenyl)-4-oxobutanamide
CID 94268012
4-hydroxy-N-(1H-indol-3-yl)butanamide
CID 115162786
N-(3-acetamido-4-methoxyphenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 35347912
N-(5-acetamido-2-methoxyphenyl)-3-(1H-indol-3-yl)propanamide
CID 42091850
4-methoxy-3-[(4-oxo-4-phenylbutanoyl)amino]benzamide
CID 51090288
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)urea
CID 7616000
methyl 3-(1H-indol-3-yl)-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]propanoate
CID 74631865
11-bromo-1-(4-methoxy-3-methylphenyl)undecan-1-one
CID 102469746
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxo-4-phenylbutanamide
CID 9397958
N-[2-(1H-indol-3-yl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 18107803

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-yl)-4-(4-methoxy-3-methylphenyl)-4-oxobutanamide?
The IUPAC name of N-(1H-indol-3-yl)-4-(4-methoxy-3-methylphenyl)-4-oxobutanamide (CID 46963319) is N-(1H-indol-3-yl)-4-(4-methoxy-3-methylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-(1H-indol-3-yl)-4-(4-methoxy-3-methylphenyl)-4-oxobutanamide?
The canonical SMILES for N-(1H-indol-3-yl)-4-(4-methoxy-3-methylphenyl)-4-oxobutanamide is COc1ccc(C(=O)CCC(=O)Nc2c[nH]c3ccccc23)cc1C.
What is the InChIKey of N-(1H-indol-3-yl)-4-(4-methoxy-3-methylphenyl)-4-oxobutanamide?
The InChIKey is NMLMLCSHKSDRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-13-11-14(7-9-19(13)25-2)18(23)8-10-20(24)22-17-12-21-16-6-4-3-5-15(16)17/h3-7,9,11-12,21H,8,10H2,1-2H3,(H,22,24).
What are the key properties of N-(1H-indol-3-yl)-4-(4-methoxy-3-methylphenyl)-4-oxobutanamide?
N-(1H-indol-3-yl)-4-(4-methoxy-3-methylphenyl)-4-oxobutanamide has a molecular weight of 336.39 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-yl)-4-(4-methoxy-3-methylphenyl)-4-oxobutanamide is sourced from PubChem (CID 46963319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).