N-methyl-3-[2-oxo-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylamino)ethoxy]benzamide

C21H24N2O3 — CID 154841683

IUPACN-methyl-3-[2-oxo-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylamino)ethoxy]benzamide
SMILESCNC(=O)c1cccc(OCC(=O)NC2CCc3ccccc3CC2)c1
InChIInChI=1S/C21H24N2O3/c1-22-21(25)17-7-4-8-19(13-17)26-14-20(24)23-18-11-9-15-5-2-3-6-16(15)10-12-18/h2-8,13,18H,9-12,14H2,1H3,(H,22,25)(H,23,24)
InChIKeyJYXVCZHPTNJNLW-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.49
Rot. Bonds5

About N-methyl-3-[2-oxo-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylamino)ethoxy]benzamide

N-methyl-3-[2-oxo-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylamino)ethoxy]benzamide (PubChem CID 154841683) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-methyl-3-[2-oxo-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylamino)ethoxy]benzamide.

Molecular Properties

Compound NameN-methyl-3-[2-oxo-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylamino)ethoxy]benzamide
PubChem CID154841683
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-methyl-3-[2-oxo-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylamino)ethoxy]benzamide
SMILESCNC(=O)c1cccc(OCC(=O)NC2CCc3ccccc3CC2)c1
InChIInChI=1S/C21H24N2O3/c1-22-21(25)17-7-4-8-19(13-17)26-14-20(24)23-18-11-9-15-5-2-3-6-16(15)10-12-18/h2-8,13,18H,9-12,14H2,1H3,(H,22,25)(H,23,24)
InChIKeyJYXVCZHPTNJNLW-UHFFFAOYSA-N
XLogP2.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-methyl-3-[2-oxo-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylamino)ethoxy]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-acetylphenoxy)-N-cyclohexylacetamide
CID 2708999
N-cyclopropyl-3-[2-(2-methylanilino)-2-oxoethoxy]benzamide
CID 87021689
N-cyclopropyl-3-[2-oxo-2-(2-phenoxyethylamino)ethoxy]benzamide
CID 60522738
N-(4-oxocyclohexyl)-2-phenoxyacetamide
CID 43652791
2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)acetamide
CID 47114454
2-[3-(1-aminoethyl)phenoxy]-N-cyclopropylacetamide
CID 16783350
N-(4-hydroxycyclohexyl)-2-(3-methylphenoxy)acetamide
CID 17453727
methyl 3-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]benzoate
CID 42157013
N-cyclohexyl-2-(3-ethylphenoxy)acetamide
CID 731769
N-benzyl-3-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethoxy]benzamide
CID 9253250
N-cyclopropyl-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzamide
CID 60522591
2-(3-aminophenoxy)-N-(4-methylcyclohexyl)acetamide
CID 54916003

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[2-oxo-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylamino)ethoxy]benzamide?
The IUPAC name of N-methyl-3-[2-oxo-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylamino)ethoxy]benzamide (CID 154841683) is N-methyl-3-[2-oxo-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylamino)ethoxy]benzamide.
What is the SMILES notation for N-methyl-3-[2-oxo-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylamino)ethoxy]benzamide?
The canonical SMILES for N-methyl-3-[2-oxo-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylamino)ethoxy]benzamide is CNC(=O)c1cccc(OCC(=O)NC2CCc3ccccc3CC2)c1.
What is the InChIKey of N-methyl-3-[2-oxo-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylamino)ethoxy]benzamide?
The InChIKey is JYXVCZHPTNJNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-22-21(25)17-7-4-8-19(13-17)26-14-20(24)23-18-11-9-15-5-2-3-6-16(15)10-12-18/h2-8,13,18H,9-12,14H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-methyl-3-[2-oxo-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylamino)ethoxy]benzamide?
N-methyl-3-[2-oxo-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylamino)ethoxy]benzamide has a molecular weight of 352.43 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-oxo-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylamino)ethoxy]benzamide is sourced from PubChem (CID 154841683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).