N-(1,1-dimethylinden-5-yl)-2-(4-methoxyphenyl)acetamide

C20H21NO2 — CID 59921176

IUPACN-(1,1-dimethylinden-5-yl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc3c(c2)C=CC3(C)C)cc1
InChIInChI=1S/C20H21NO2/c1-20(2)11-10-15-13-16(6-9-18(15)20)21-19(22)12-14-4-7-17(23-3)8-5-14/h4-11,13H,12H2,1-3H3,(H,21,22)
InChIKeyGBAAUCRWECNTDC-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.18
Rot. Bonds4

About N-(1,1-dimethylinden-5-yl)-2-(4-methoxyphenyl)acetamide

N-(1,1-dimethylinden-5-yl)-2-(4-methoxyphenyl)acetamide (PubChem CID 59921176) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-(1,1-dimethylinden-5-yl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1,1-dimethylinden-5-yl)-2-(4-methoxyphenyl)acetamide
PubChem CID59921176
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC NameN-(1,1-dimethylinden-5-yl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc3c(c2)C=CC3(C)C)cc1
InChIInChI=1S/C20H21NO2/c1-20(2)11-10-15-13-16(6-9-18(15)20)21-19(22)12-14-4-7-17(23-3)8-5-14/h4-11,13H,12H2,1-3H3,(H,21,22)
InChIKeyGBAAUCRWECNTDC-UHFFFAOYSA-N
XLogP4.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

dimethyl 4-[[2-(4-methoxyphenyl)acetyl]amino]benzene-1,2-dicarboxylate
CID 102407595
N-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 110776473
2-(4-methoxyphenyl)-N-pyridin-4-ylacetamide
CID 4228325
N-(4-methoxyphenyl)-2-pyridin-4-ylacetamide
CID 110697333
2-(4-methoxyphenyl)-N-[3-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]sulfonylphenyl]acetamide
CID 5077969
N-[4-[(2-aminoacetyl)amino]-2-methoxyphenyl]-2-(4-methoxyphenyl)acetamide
CID 39184620
N-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]butanamide
CID 17202461
N-[4-(2-chloroethyl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 114299189
N-[4-(2-aminoethyl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 28754535
N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-8-yl)-2-(4-methoxyphenyl)acetamide
CID 40887031
N-[2-(4-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112998708
N-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 41139632

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dimethylinden-5-yl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(1,1-dimethylinden-5-yl)-2-(4-methoxyphenyl)acetamide (CID 59921176) is N-(1,1-dimethylinden-5-yl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(1,1-dimethylinden-5-yl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(1,1-dimethylinden-5-yl)-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2ccc3c(c2)C=CC3(C)C)cc1.
What is the InChIKey of N-(1,1-dimethylinden-5-yl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is GBAAUCRWECNTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-20(2)11-10-15-13-16(6-9-18(15)20)21-19(22)12-14-4-7-17(23-3)8-5-14/h4-11,13H,12H2,1-3H3,(H,21,22).
What are the key properties of N-(1,1-dimethylinden-5-yl)-2-(4-methoxyphenyl)acetamide?
N-(1,1-dimethylinden-5-yl)-2-(4-methoxyphenyl)acetamide has a molecular weight of 307.39 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dimethylinden-5-yl)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 59921176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).