2-(4-cyano-2-methoxyphenoxy)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide

C20H20N2O3 — CID 134053335

IUPAC2-(4-cyano-2-methoxyphenoxy)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
SMILESCOc1cc(C#N)ccc1OCC(=O)N(C)C1CCc2ccccc21
InChIInChI=1S/C20H20N2O3/c1-22(17-9-8-15-5-3-4-6-16(15)17)20(23)13-25-18-10-7-14(12-21)11-19(18)24-2/h3-7,10-11,17H,8-9,13H2,1-2H3
InChIKeyPKMIXCOGKNLHPV-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.09
Rot. Bonds5

About 2-(4-cyano-2-methoxyphenoxy)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide

2-(4-cyano-2-methoxyphenoxy)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide (PubChem CID 134053335) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-(4-cyano-2-methoxyphenoxy)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-cyano-2-methoxyphenoxy)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
PubChem CID134053335
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name2-(4-cyano-2-methoxyphenoxy)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
SMILESCOc1cc(C#N)ccc1OCC(=O)N(C)C1CCc2ccccc21
InChIInChI=1S/C20H20N2O3/c1-22(17-9-8-15-5-3-4-6-16(15)17)20(23)13-25-18-10-7-14(12-21)11-19(18)24-2/h3-7,10-11,17H,8-9,13H2,1-2H3
InChIKeyPKMIXCOGKNLHPV-UHFFFAOYSA-N
XLogP3.09
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-cyanophenoxy)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9457337
2-(4-cyano-2-methoxyphenoxy)-N-methyl-N-phenylacetamide
CID 2492423
4-(2-cyclopropyl-2-oxoethoxy)-3-methoxybenzonitrile
CID 63903452
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
CID 55548430
[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 9458315
2-(4-cyano-2-methoxyphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 7757485
[2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 55364946
2-(4-cyano-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 7757349
2-(4-cyano-2-methoxyphenoxy)-N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 97046517
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 52557701
4-[2-[(2R,5R)-2-ethyl-5-methylpyrrolidin-1-yl]-2-oxoethoxy]-3-methoxybenzonitrile
CID 97256345
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 47020637

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide?
The IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide (CID 134053335) is 2-(4-cyano-2-methoxyphenoxy)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(4-cyano-2-methoxyphenoxy)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(4-cyano-2-methoxyphenoxy)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide is COc1cc(C#N)ccc1OCC(=O)N(C)C1CCc2ccccc21.
What is the InChIKey of 2-(4-cyano-2-methoxyphenoxy)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide?
The InChIKey is PKMIXCOGKNLHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-22(17-9-8-15-5-3-4-6-16(15)17)20(23)13-25-18-10-7-14(12-21)11-19(18)24-2/h3-7,10-11,17H,8-9,13H2,1-2H3.
What are the key properties of 2-(4-cyano-2-methoxyphenoxy)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide?
2-(4-cyano-2-methoxyphenoxy)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide has a molecular weight of 336.39 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-methoxyphenoxy)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide is sourced from PubChem (CID 134053335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).