N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C18H18N2O5 — CID 18155389

IUPACN-[3-(2-amino-2-oxoethoxy)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESNC(=O)COc1cccc(NC(=O)Cc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C18H18N2O5/c19-17(21)11-25-14-3-1-2-13(10-14)20-18(22)9-12-4-5-15-16(8-12)24-7-6-23-15/h1-5,8,10H,6-7,9,11H2,(H2,19,21)(H,20,22)
InChIKeyFSAMTOVZLLUXHA-UHFFFAOYSA-N
MW342.35 g/mol
LogP1.50
Rot. Bonds6

About N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 18155389) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound NameN-[3-(2-amino-2-oxoethoxy)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID18155389
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC NameN-[3-(2-amino-2-oxoethoxy)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESNC(=O)COc1cccc(NC(=O)Cc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C18H18N2O5/c19-17(21)11-25-14-3-1-2-13(10-14)20-18(22)9-12-4-5-15-16(8-12)24-7-6-23-15/h1-5,8,10H,6-7,9,11H2,(H2,19,21)(H,20,22)
InChIKeyFSAMTOVZLLUXHA-UHFFFAOYSA-N
XLogP1.50
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide 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

ethyl 2-[3-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]phenoxy]acetate
CID 55615254
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-ethoxyphenyl)acetamide
CID 24649938
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 24649985
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 25163748
[2-(3-nitroanilino)-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 8655612
N-[3-(2-amino-2-oxoethoxy)phenyl]-3-oxobutanamide
CID 61251264
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 8654966
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 8655257
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(2-methoxyphenyl)acetamide
CID 18155390
3-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]oxolane-3-carboxamide
CID 64891125
2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(3-methoxyphenyl)acetamide
CID 31379931
2-(1,3-benzodioxol-5-yl)-N-(3-methylphenyl)acetamide
CID 40805167

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 18155389) is N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is NC(=O)COc1cccc(NC(=O)Cc2ccc3c(c2)OCCO3)c1.
What is the InChIKey of N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is FSAMTOVZLLUXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c19-17(21)11-25-14-3-1-2-13(10-14)20-18(22)9-12-4-5-15-16(8-12)24-7-6-23-15/h1-5,8,10H,6-7,9,11H2,(H2,19,21)(H,20,22).
What are the key properties of N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 342.35 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 18155389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).