N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]-4-methoxybenzamide

C19H20N2O3 — CID 110784000

IUPACN-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc3c(c2)C(C)(C)C(=O)N3)cc1
InChIInChI=1S/C19H20N2O3/c1-19(2)15-10-12(4-9-16(15)21-18(19)23)11-20-17(22)13-5-7-14(24-3)8-6-13/h4-10H,11H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyNUJDIYKQNOONLN-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.85
Rot. Bonds4

About N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]-4-methoxybenzamide

N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]-4-methoxybenzamide (PubChem CID 110784000) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]-4-methoxybenzamide
PubChem CID110784000
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc3c(c2)C(C)(C)C(=O)N3)cc1
InChIInChI=1S/C19H20N2O3/c1-19(2)15-10-12(4-9-16(15)21-18(19)23)11-20-17(22)13-5-7-14(24-3)8-6-13/h4-10H,11H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyNUJDIYKQNOONLN-UHFFFAOYSA-N
XLogP2.85
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 11346996
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
4-(acetamidomethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide
CID 17454314
N-(3-methoxypropyl)-3,3-dimethyl-2-oxo-1H-indole-5-carboxamide
CID 110700491
N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]-3,3-dimethylbutanamide
CID 110784021
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-methoxybenzamide
CID 110785359
N-[(4-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 883831
4-methoxy-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]benzamide
CID 23988040
N-benzyl-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
CID 138993218
N-[(4-methoxyphenyl)methyl]-1H-indazole-6-carboxamide
CID 46341632
N-[(6-methoxynaphthalen-2-yl)methyl]-4-sulfamoylbenzamide
CID 41287032
(3S)-3-(2-hydroxypropan-2-yl)-N-[(4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoxaline-6-carboxamide
CID 171537982

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]-4-methoxybenzamide?
The IUPAC name of N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]-4-methoxybenzamide (CID 110784000) is N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]-4-methoxybenzamide.
What is the SMILES notation for N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]-4-methoxybenzamide?
The canonical SMILES for N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCc2ccc3c(c2)C(C)(C)C(=O)N3)cc1.
What is the InChIKey of N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]-4-methoxybenzamide?
The InChIKey is NUJDIYKQNOONLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-19(2)15-10-12(4-9-16(15)21-18(19)23)11-20-17(22)13-5-7-14(24-3)8-6-13/h4-10H,11H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]-4-methoxybenzamide?
N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]-4-methoxybenzamide has a molecular weight of 324.38 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]-4-methoxybenzamide is sourced from PubChem (CID 110784000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).