4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-methoxyphenoxy)ethyl]-4-oxobutanamide

C22H25NO4 — CID 38455868

IUPAC4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-methoxyphenoxy)ethyl]-4-oxobutanamide
SMILESCOc1ccccc1OCCNC(=O)CCC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C22H25NO4/c1-26-20-7-2-3-8-21(20)27-14-13-23-22(25)12-11-19(24)18-10-9-16-5-4-6-17(16)15-18/h2-3,7-10,15H,4-6,11-14H2,1H3,(H,23,25)
InChIKeyVTBBNGKRWXSGFP-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.34
Rot. Bonds9

About 4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-methoxyphenoxy)ethyl]-4-oxobutanamide

4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-methoxyphenoxy)ethyl]-4-oxobutanamide (PubChem CID 38455868) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-methoxyphenoxy)ethyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-methoxyphenoxy)ethyl]-4-oxobutanamide
PubChem CID38455868
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-methoxyphenoxy)ethyl]-4-oxobutanamide
SMILESCOc1ccccc1OCCNC(=O)CCC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C22H25NO4/c1-26-20-7-2-3-8-21(20)27-14-13-23-22(25)12-11-19(24)18-10-9-16-5-4-6-17(16)15-18/h2-3,7-10,15H,4-6,11-14H2,1H3,(H,23,25)
InChIKeyVTBBNGKRWXSGFP-UHFFFAOYSA-N
XLogP3.34
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-methoxyphenyl)ethyl]-4-oxobutanamide
CID 31115610
4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxobutanamide
CID 32735771
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113101463
4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[3-(1-phenylethoxy)propyl]butanamide
CID 43048242
N-[2-(2-methoxyphenoxy)ethyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 38451172
4-(2,3-dihydro-1H-inden-5-yl)-N-[3-(dimethylamino)propyl]-4-oxobutanamide
CID 94314016
4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(ethylamino)ethyl]-4-oxobutanamide
CID 119505485
N-[2-(4-methoxyphenyl)ethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 46651890
4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(ethylamino)ethyl]-4-oxobutanamide;hydrochloride
CID 119505484
N-[2-(methylamino)ethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide;hydrochloride
CID 119504083
4-(2,5-dimethylthiophen-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]-4-oxobutanamide
CID 43009505
4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-prop-2-ynylbutanamide
CID 30602319

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-methoxyphenoxy)ethyl]-4-oxobutanamide?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-methoxyphenoxy)ethyl]-4-oxobutanamide (CID 38455868) is 4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-methoxyphenoxy)ethyl]-4-oxobutanamide.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-methoxyphenoxy)ethyl]-4-oxobutanamide?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-methoxyphenoxy)ethyl]-4-oxobutanamide is COc1ccccc1OCCNC(=O)CCC(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-methoxyphenoxy)ethyl]-4-oxobutanamide?
The InChIKey is VTBBNGKRWXSGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-26-20-7-2-3-8-21(20)27-14-13-23-22(25)12-11-19(24)18-10-9-16-5-4-6-17(16)15-18/h2-3,7-10,15H,4-6,11-14H2,1H3,(H,23,25).
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-methoxyphenoxy)ethyl]-4-oxobutanamide?
4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-methoxyphenoxy)ethyl]-4-oxobutanamide has a molecular weight of 367.45 g/mol, XLogP of 3.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-methoxyphenoxy)ethyl]-4-oxobutanamide is sourced from PubChem (CID 38455868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).