2-(3-benzyl-7-ethoxy-2-methyl-1H-inden-1-yl)acetamide

C21H23NO2 — CID 20592736

IUPAC2-(3-benzyl-7-ethoxy-2-methyl-1H-inden-1-yl)acetamide
SMILESCCOc1cccc2c1C(CC(N)=O)C(C)=C2Cc1ccccc1
InChIInChI=1S/C21H23NO2/c1-3-24-19-11-7-10-16-17(12-15-8-5-4-6-9-15)14(2)18(21(16)19)13-20(22)23/h4-11,18H,3,12-13H2,1-2H3,(H2,22,23)
InChIKeyQXZVLCRXCBMCJJ-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.07
Rot. Bonds6

About 2-(3-benzyl-7-ethoxy-2-methyl-1H-inden-1-yl)acetamide

2-(3-benzyl-7-ethoxy-2-methyl-1H-inden-1-yl)acetamide (PubChem CID 20592736) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-(3-benzyl-7-ethoxy-2-methyl-1H-inden-1-yl)acetamide.

Molecular Properties

Compound Name2-(3-benzyl-7-ethoxy-2-methyl-1H-inden-1-yl)acetamide
PubChem CID20592736
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name2-(3-benzyl-7-ethoxy-2-methyl-1H-inden-1-yl)acetamide
SMILESCCOc1cccc2c1C(CC(N)=O)C(C)=C2Cc1ccccc1
InChIInChI=1S/C21H23NO2/c1-3-24-19-11-7-10-16-17(12-15-8-5-4-6-9-15)14(2)18(21(16)19)13-20(22)23/h4-11,18H,3,12-13H2,1-2H3,(H2,22,23)
InChIKeyQXZVLCRXCBMCJJ-UHFFFAOYSA-N
XLogP4.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3Z)-3-benzylidene-7-ethoxy-2-methylinden-1-yl]acetamide
CID 59074962
2-ethoxybenzoyl bromide
CID 19426336
2-amino-3-(2-ethoxyphenyl)propanoic acid
CID 4241494
2-(2-benzyl-3-methoxyphenoxy)acetamide
CID 174714930
2-[[5-(2-ethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6459373
4-(2-ethoxyphenyl)benzaldehyde
CID 62801534
3-(2-ethoxyphenyl)-3-oxopropanamide
CID 76851157
1-ethoxy-2-[4-(4-phenylphenyl)phenyl]benzene
CID 151505413
2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetamide
CID 43278938
1-benzyl-3-[(2-ethoxyphenoxy)methyl]-1-methylurea
CID 108877231
1-[4-(2-ethoxyphenyl)phenyl]ethanone
CID 62801533
ethyl 3-[4-[(2-phenylmethoxyphenyl)methyl]phenyl]prop-2-enoate
CID 91099844

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-7-ethoxy-2-methyl-1H-inden-1-yl)acetamide?
The IUPAC name of 2-(3-benzyl-7-ethoxy-2-methyl-1H-inden-1-yl)acetamide (CID 20592736) is 2-(3-benzyl-7-ethoxy-2-methyl-1H-inden-1-yl)acetamide.
What is the SMILES notation for 2-(3-benzyl-7-ethoxy-2-methyl-1H-inden-1-yl)acetamide?
The canonical SMILES for 2-(3-benzyl-7-ethoxy-2-methyl-1H-inden-1-yl)acetamide is CCOc1cccc2c1C(CC(N)=O)C(C)=C2Cc1ccccc1.
What is the InChIKey of 2-(3-benzyl-7-ethoxy-2-methyl-1H-inden-1-yl)acetamide?
The InChIKey is QXZVLCRXCBMCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-3-24-19-11-7-10-16-17(12-15-8-5-4-6-9-15)14(2)18(21(16)19)13-20(22)23/h4-11,18H,3,12-13H2,1-2H3,(H2,22,23).
What are the key properties of 2-(3-benzyl-7-ethoxy-2-methyl-1H-inden-1-yl)acetamide?
2-(3-benzyl-7-ethoxy-2-methyl-1H-inden-1-yl)acetamide has a molecular weight of 321.42 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-7-ethoxy-2-methyl-1H-inden-1-yl)acetamide is sourced from PubChem (CID 20592736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).