(2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2,3-dihydro-1H-inden-5-yl)propanamide

C21H23NO4 — CID 8730672

IUPAC(2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2,3-dihydro-1H-inden-5-yl)propanamide
SMILESCOc1cc(C(C)=O)ccc1O[C@H](C)C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C21H23NO4/c1-13(23)16-8-10-19(20(12-16)25-3)26-14(2)21(24)22-18-9-7-15-5-4-6-17(15)11-18/h7-12,14H,4-6H2,1-3H3,(H,22,24)/t14-/m1/s1
InChIKeyOLTZQWQGDWWCFX-CQSZACIVSA-N
MW353.42 g/mol
LogP3.79
Rot. Bonds6

About (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2,3-dihydro-1H-inden-5-yl)propanamide

(2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2,3-dihydro-1H-inden-5-yl)propanamide (PubChem CID 8730672) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2,3-dihydro-1H-inden-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2,3-dihydro-1H-inden-5-yl)propanamide
PubChem CID8730672
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name(2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2,3-dihydro-1H-inden-5-yl)propanamide
SMILESCOc1cc(C(C)=O)ccc1O[C@H](C)C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C21H23NO4/c1-13(23)16-8-10-19(20(12-16)25-3)26-14(2)21(24)22-18-9-7-15-5-4-6-17(15)11-18/h7-12,14H,4-6H2,1-3H3,(H,22,24)/t14-/m1/s1
InChIKeyOLTZQWQGDWWCFX-CQSZACIVSA-N
XLogP3.79
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(2S)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl]oxy-3-methoxybenzoate
CID 8729040
(2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(4-morpholin-4-ylphenyl)propanamide
CID 7990427
(2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 26054553
2-[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]oxy-4-methoxybenzamide
CID 18097226
[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 2-(4-formyl-2-methoxyphenoxy)acetate
CID 8988355
(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]oxypropanamide
CID 95767292
N-[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
CID 9369331
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 3-methoxy-4-(2-methylpropoxy)benzoate
CID 7210908
2-amino-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 24704164
(2R)-2-(4-acetyl-2-methoxyphenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]propanamide
CID 11929269
(2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2-ethoxyphenyl)propanamide
CID 8730577
[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 2-acetamidopropanoate
CID 45354771

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2,3-dihydro-1H-inden-5-yl)propanamide?
The IUPAC name of (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2,3-dihydro-1H-inden-5-yl)propanamide (CID 8730672) is (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2,3-dihydro-1H-inden-5-yl)propanamide.
What is the SMILES notation for (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2,3-dihydro-1H-inden-5-yl)propanamide?
The canonical SMILES for (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2,3-dihydro-1H-inden-5-yl)propanamide is COc1cc(C(C)=O)ccc1O[C@H](C)C(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2,3-dihydro-1H-inden-5-yl)propanamide?
The InChIKey is OLTZQWQGDWWCFX-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23NO4/c1-13(23)16-8-10-19(20(12-16)25-3)26-14(2)21(24)22-18-9-7-15-5-4-6-17(15)11-18/h7-12,14H,4-6H2,1-3H3,(H,22,24)/t14-/m1/s1.
What are the key properties of (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2,3-dihydro-1H-inden-5-yl)propanamide?
(2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2,3-dihydro-1H-inden-5-yl)propanamide has a molecular weight of 353.42 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2,3-dihydro-1H-inden-5-yl)propanamide is sourced from PubChem (CID 8730672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).