N-[(3,4-dimethoxyphenyl)methyl]-2-(3,3-dimethyl-2-oxoindol-1-yl)acetamide

C21H24N2O4 — CID 53057385

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-(3,3-dimethyl-2-oxoindol-1-yl)acetamide
SMILESCOc1ccc(CNC(=O)CN2C(=O)C(C)(C)c3ccccc32)cc1OC
InChIInChI=1S/C21H24N2O4/c1-21(2)15-7-5-6-8-16(15)23(20(21)25)13-19(24)22-12-14-9-10-17(26-3)18(11-14)27-4/h5-11H,12-13H2,1-4H3,(H,22,24)
InChIKeyWWBVVZUAPJOJCV-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.64
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-2-(3,3-dimethyl-2-oxoindol-1-yl)acetamide

N-[(3,4-dimethoxyphenyl)methyl]-2-(3,3-dimethyl-2-oxoindol-1-yl)acetamide (PubChem CID 53057385) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-(3,3-dimethyl-2-oxoindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-(3,3-dimethyl-2-oxoindol-1-yl)acetamide
PubChem CID53057385
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-(3,3-dimethyl-2-oxoindol-1-yl)acetamide
SMILESCOc1ccc(CNC(=O)CN2C(=O)C(C)(C)c3ccccc32)cc1OC
InChIInChI=1S/C21H24N2O4/c1-21(2)15-7-5-6-8-16(15)23(20(21)25)13-19(24)22-12-14-9-10-17(26-3)18(11-14)27-4/h5-11H,12-13H2,1-4H3,(H,22,24)
InChIKeyWWBVVZUAPJOJCV-UHFFFAOYSA-N
XLogP2.64
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,3-dimethyl-2-oxoindol-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 22583355
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methyl-2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-1-yl)acetamide
CID 71963603
N-[(3,4-dimethoxyphenyl)methyl]-2-[(5R)-2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl]acetamide
CID 40795248
2-(2,3-dihydroindol-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 8704444
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylsulfanylacetamide
CID 2707709
N-[(2,5-dimethoxyphenyl)methyl]-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide
CID 53057512
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 9017557
N-[(3,4-dimethoxyphenyl)methyl]-2-(6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)acetamide
CID 78149649
N-(3,4-dimethoxyphenyl)-2-[(3S)-3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]acetamide
CID 95095174
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55684983
(3R)-1-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one
CID 7444539

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(3,3-dimethyl-2-oxoindol-1-yl)acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(3,3-dimethyl-2-oxoindol-1-yl)acetamide (CID 53057385) is N-[(3,4-dimethoxyphenyl)methyl]-2-(3,3-dimethyl-2-oxoindol-1-yl)acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-(3,3-dimethyl-2-oxoindol-1-yl)acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-(3,3-dimethyl-2-oxoindol-1-yl)acetamide is COc1ccc(CNC(=O)CN2C(=O)C(C)(C)c3ccccc32)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-(3,3-dimethyl-2-oxoindol-1-yl)acetamide?
The InChIKey is WWBVVZUAPJOJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-21(2)15-7-5-6-8-16(15)23(20(21)25)13-19(24)22-12-14-9-10-17(26-3)18(11-14)27-4/h5-11H,12-13H2,1-4H3,(H,22,24).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-(3,3-dimethyl-2-oxoindol-1-yl)acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-(3,3-dimethyl-2-oxoindol-1-yl)acetamide has a molecular weight of 368.43 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-(3,3-dimethyl-2-oxoindol-1-yl)acetamide is sourced from PubChem (CID 53057385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).