2-(2-ethoxyphenoxy)-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethanone

C20H24N2O3 — CID 167894695

IUPAC2-(2-ethoxyphenoxy)-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethanone
SMILESCCOc1ccccc1OCC(=O)N1CCN(C)Cc2ccccc21
InChIInChI=1S/C20H24N2O3/c1-3-24-18-10-6-7-11-19(18)25-15-20(23)22-13-12-21(2)14-16-8-4-5-9-17(16)22/h4-11H,3,12-15H2,1-2H3
InChIKeyUGXGPUWCUXARCE-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.94
Rot. Bonds5

About 2-(2-ethoxyphenoxy)-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethanone

2-(2-ethoxyphenoxy)-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethanone (PubChem CID 167894695) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-(2-ethoxyphenoxy)-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-ethoxyphenoxy)-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethanone
PubChem CID167894695
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-(2-ethoxyphenoxy)-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethanone
SMILESCCOc1ccccc1OCC(=O)N1CCN(C)Cc2ccccc21
InChIInChI=1S/C20H24N2O3/c1-3-24-18-10-6-7-11-19(18)25-15-20(23)22-13-12-21(2)14-16-8-4-5-9-17(16)22/h4-11H,3,12-15H2,1-2H3
InChIKeyUGXGPUWCUXARCE-UHFFFAOYSA-N
XLogP2.94
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethanone;dihydrochloride
CID 119878127
N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(2-ethoxyphenoxy)acetohydrazide
CID 4599962
3-cyclopropyl-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)propan-1-one
CID 71931108
4-[2-(2-ethoxyphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
CID 26860466
4-amino-3-methoxy-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)butan-1-one;dihydrochloride
CID 120596557
2-(2-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone
CID 823401
3-amino-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)-3-phenylpropan-1-one;dihydrochloride
CID 119953711
4-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)-4-oxobutanoic acid;2,2,2-trifluoroacetic acid
CID 146134668
1-[2-(2-ethoxyphenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435322
3-(2-aminophenyl)-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)propan-1-one;dihydrochloride
CID 120613000
1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]butan-1-one
CID 108568632
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2-ethoxyphenoxy)ethanone
CID 106671784

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenoxy)-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethanone?
The IUPAC name of 2-(2-ethoxyphenoxy)-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethanone (CID 167894695) is 2-(2-ethoxyphenoxy)-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethanone.
What is the SMILES notation for 2-(2-ethoxyphenoxy)-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethanone?
The canonical SMILES for 2-(2-ethoxyphenoxy)-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethanone is CCOc1ccccc1OCC(=O)N1CCN(C)Cc2ccccc21.
What is the InChIKey of 2-(2-ethoxyphenoxy)-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethanone?
The InChIKey is UGXGPUWCUXARCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-3-24-18-10-6-7-11-19(18)25-15-20(23)22-13-12-21(2)14-16-8-4-5-9-17(16)22/h4-11H,3,12-15H2,1-2H3.
What are the key properties of 2-(2-ethoxyphenoxy)-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethanone?
2-(2-ethoxyphenoxy)-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethanone has a molecular weight of 340.42 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenoxy)-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethanone is sourced from PubChem (CID 167894695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).