N-(2,3-dihydro-1H-inden-1-yl)-4-(4-ethoxyphenyl)-4-oxobutanamide

C21H23NO3 — CID 51273592

IUPACN-(2,3-dihydro-1H-inden-1-yl)-4-(4-ethoxyphenyl)-4-oxobutanamide
SMILESCCOc1ccc(C(=O)CCC(=O)NC2CCc3ccccc32)cc1
InChIInChI=1S/C21H23NO3/c1-2-25-17-10-7-16(8-11-17)20(23)13-14-21(24)22-19-12-9-15-5-3-4-6-18(15)19/h3-8,10-11,19H,2,9,12-14H2,1H3,(H,22,24)
InChIKeyZTHVVIKROXYFCX-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.85
Rot. Bonds7

About N-(2,3-dihydro-1H-inden-1-yl)-4-(4-ethoxyphenyl)-4-oxobutanamide

N-(2,3-dihydro-1H-inden-1-yl)-4-(4-ethoxyphenyl)-4-oxobutanamide (PubChem CID 51273592) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-4-(4-ethoxyphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-4-(4-ethoxyphenyl)-4-oxobutanamide
PubChem CID51273592
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-4-(4-ethoxyphenyl)-4-oxobutanamide
SMILESCCOc1ccc(C(=O)CCC(=O)NC2CCc3ccccc32)cc1
InChIInChI=1S/C21H23NO3/c1-2-25-17-10-7-16(8-11-17)20(23)13-14-21(24)22-19-12-9-15-5-3-4-6-18(15)19/h3-8,10-11,19H,2,9,12-14H2,1H3,(H,22,24)
InChIKeyZTHVVIKROXYFCX-UHFFFAOYSA-N
XLogP3.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethoxyphenyl)-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 7973970
2-(4-propanoylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2542209
4-(4-acetylphenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 2125241
N-(6-bromo-2,3-dihydro-1H-inden-1-yl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 171697783
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(4-ethoxyphenoxy)acetate
CID 7605781
2-[(R)-[2-(4-ethoxyanilino)-2-oxoethyl]sulfinyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 11890821
2-[(R)-[2-(4-ethoxyanilino)-2-oxoethyl]sulfinyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 11890819
N-[(1S)-2,3-dihydro-1H-inden-1-yl]dodecanamide
CID 23624796
4-(4-ethoxyphenyl)-4-oxo-N-(2-oxopiperidin-3-yl)butanamide
CID 51099351
4-(4-ethoxyphenyl)-4-oxo-N-[(3S)-2-oxopiperidin-3-yl]butanamide
CID 94799342
N-(4-ethoxyphenyl)-2,3-dihydro-1H-inden-1-amine
CID 43191383
N-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-3,4-diethoxybenzamide
CID 51273775

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-4-(4-ethoxyphenyl)-4-oxobutanamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-4-(4-ethoxyphenyl)-4-oxobutanamide (CID 51273592) is N-(2,3-dihydro-1H-inden-1-yl)-4-(4-ethoxyphenyl)-4-oxobutanamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-4-(4-ethoxyphenyl)-4-oxobutanamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-4-(4-ethoxyphenyl)-4-oxobutanamide is CCOc1ccc(C(=O)CCC(=O)NC2CCc3ccccc32)cc1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-4-(4-ethoxyphenyl)-4-oxobutanamide?
The InChIKey is ZTHVVIKROXYFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-2-25-17-10-7-16(8-11-17)20(23)13-14-21(24)22-19-12-9-15-5-3-4-6-18(15)19/h3-8,10-11,19H,2,9,12-14H2,1H3,(H,22,24).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-4-(4-ethoxyphenyl)-4-oxobutanamide?
N-(2,3-dihydro-1H-inden-1-yl)-4-(4-ethoxyphenyl)-4-oxobutanamide has a molecular weight of 337.42 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-4-(4-ethoxyphenyl)-4-oxobutanamide is sourced from PubChem (CID 51273592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).